data_1s04_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 1s04 _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 ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -111.51 141.38 45.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.01 138.59 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.495 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 7.4 mtt -151.24 -175.07 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.15 147.38 16.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.611 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -167.13 158.52 12.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -50.51 144.32 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -42.38 66.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.23 -36.19 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.18 -27.11 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 47' ' ' LEU . 66.9 mt -65.93 -49.64 67.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.67 -34.22 61.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -56.4 -45.16 80.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 HG21 ' CG1' ' A' ' 49' ' ' VAL . 0.8 OUTLIER -57.34 -37.57 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' CE ' HD21 ' A' ' 47' ' ' LEU . 5.0 mtmt -65.53 -29.02 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.54 -18.5 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 4.7 mtt180 -84.29 1.15 46.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -10.46 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -130.09 6.7 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' O ' HG12 ' A' ' 22' ' ' ILE . 24.9 mttt -125.7 -114.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.549 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -166.98 172.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.549 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -143.27 114.73 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -85.12 173.01 48.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 158.46 104.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.3 133.66 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CB ' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -59.03 129.3 41.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -126.03 -175.25 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.81 -51.24 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -39.45 86.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' CZ ' ' HD3' ' A' ' 25' ' ' ARG . 2.7 tpp180 -64.41 -44.19 92.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -50.98 -38.14 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.03 -28.96 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 51' ' ' VAL . 79.8 mt -69.61 121.87 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.24 161.48 56.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 84.78 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.99 49.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.88 -166.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -139.04 148.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.433 HD11 ' CG2' ' A' ' 51' ' ' VAL . 2.1 mt -122.14 113.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -89.89 127.6 36.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.611 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 28.8 m-85 -105.87 141.93 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 46.22 40.49 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.34 -62.64 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.3 29.51 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' CB ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -135.85 112.63 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.407 ' C ' HG12 ' A' ' 49' ' ' VAL . 10.6 mmtp -102.82 133.55 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 15' ' ' ILE . 32.7 m -136.91 153.82 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . 4.6 ttp180 -131.11 119.83 22.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 34' ' ' ILE . 61.0 t -50.64 138.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 -43.11 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.98 157.39 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.47 144.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.94 160.72 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -135.39 140.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CG ' ' HG2' ' A' ' 63' ' ' MET . 17.8 m-85 -133.12 -176.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -76.45 -46.28 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.459 ' HA ' ' CG2' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -165.8 -178.61 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 95' ' ' GLU . 32.1 m-85 -60.58 -38.72 85.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 9.4 tpp180 -55.46 -52.88 62.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -65.44 -29.22 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.555 ' HG2' ' CG ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -72.9 -49.66 28.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 69' ' ' LEU . 63.1 mt -71.97 -32.23 67.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 72.9 mt-10 -75.47 -43.71 47.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 19.5 ttmt -83.05 -64.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.1 tm-20 -61.45 -52.63 63.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.26 129.59 3.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' ' CG1' ' A' ' 76' ' ' VAL . 24.0 tp -60.89 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.49 -12.36 60.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.598 ' N ' HD21 ' A' ' 71' ' ' ASN . 1.3 m-80 -92.91 6.3 48.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' A' ' 22' ' ' ILE . 94.1 t -133.99 -52.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -117.58 95.61 47.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.23 -25.98 8.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.487 ' HB ' ' CD2' ' A' ' 73' ' ' LEU . 7.0 p -39.43 148.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -85.42 -35.1 21.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 m -167.4 167.81 13.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.3 mt -55.32 -44.09 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.88 99.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -38.79 92.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.75 -49.48 78.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -55.46 -41.92 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.39 -38.32 74.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.21 -41.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -75.1 -25.15 58.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -43.78 51.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -66.36 -37.74 85.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.501 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 7.8 m-85 -83.77 -55.2 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -97.79 136.26 38.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.15 153.54 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.15 -35.81 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -55.11 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -45.4 77.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -58.88 -51.44 70.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -65.53 -20.31 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -66.99 -60.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -101.53 -55.46 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 133.06 -126.51 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 59' ' ' SER . 8.1 t -141.26 145.29 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.448 HG21 ' CB ' ' A' ' 27' ' ' TYR . 27.3 m -137.2 108.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.79 98.48 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -85.22 107.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.52 114.23 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.9 pp -112.54 148.95 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.64 107.84 4.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.97 118.4 5.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -98.15 144.45 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.98 116.16 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 6.7 mtt -121.77 -175.04 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.97 150.66 22.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -174.7 178.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 155.6 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.22 -49.26 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.38 -34.04 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.455 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.23 -30.08 62.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 42' ' ' PHE . 12.7 mt -65.79 -43.71 87.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -54.88 -35.46 64.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.61 -43.54 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 3.3 mp -59.04 -42.31 85.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -58.7 -29.75 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 -24.69 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 3.5 mtt180 -77.11 0.81 20.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -72.51 -13.25 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -126.32 2.58 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 16.4 mttt -123.04 -113.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -166.41 171.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 4.6 tt0 -143.23 92.86 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' CA ' ' HE2' ' A' ' 63' ' ' MET . . . -66.35 170.52 30.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.2 ttt180 171.64 114.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.41 135.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.44 ' CG ' HG13 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -69.24 89.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.29 -167.18 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.74 -47.37 39.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.69 -39.65 85.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 3.6 mmp_? -57.17 -37.8 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -40.66 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -29.04 67.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 31' ' ' ARG . 96.3 mt -68.14 142.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 164.27 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.34 2.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.01 -30.22 1.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -75.31 171.72 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.3 t -134.37 131.03 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -100.88 128.62 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -104.29 118.22 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 38.5 m-85 -96.75 137.44 35.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 53.7 36.69 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.42 -61.57 3.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.11 28.08 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -75.79 -39.63 56.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -140.71 115.92 9.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -107.17 136.59 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 15' ' ' ILE . 27.1 m -136.4 153.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -129.68 116.56 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.38 146.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.69 -40.17 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -174.1 166.98 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.12 149.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt-85 -157.93 122.23 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.58 151.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 10.7 m-85 -133.22 -179.19 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.15 -46.59 27.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 163.6 37.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -56.7 -37.68 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -38.52 70.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.31 -28.25 61.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.573 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 9.3 mtp -75.74 -50.26 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.436 ' O ' ' CA ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER -63.63 -31.69 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.98 -45.61 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -76.83 -66.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 72.6 mm-40 -60.12 -49.28 78.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 125.94 126.9 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' ' CG1' ' A' ' 76' ' ' VAL . 19.4 tp -55.25 -59.4 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.06 -23.57 65.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.422 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 12.1 m-80 -90.04 17.09 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.6 -48.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.489 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -129.43 96.94 26.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.44 4.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.91 -28.74 5.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CG1' ' CD1' ' A' ' 69' ' ' LEU . 7.4 p -39.97 148.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -85.74 -36.11 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 m -168.36 164.97 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.73 -40.5 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -45.17 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.5 -39.63 94.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -52.93 -46.84 60.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -58.43 -41.74 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.5 -37.47 67.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 t -64.57 -48.86 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 13.3 m-30 -64.72 -21.85 66.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -75.59 -45.64 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -71.76 -32.06 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.77 -53.67 5.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 86' ' ' TYR . 3.9 m-85 -111.32 146.4 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.83 145.72 55.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.468 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 42.9 tp10 -73.02 -38.01 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -53.78 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -42.19 78.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 17.0 tt0 -64.31 -52.95 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -16.47 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -74.62 -59.48 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.29 -55.47 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.5 -145.93 16.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 60' ' ' PHE . 1.7 t -125.37 149.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -136.09 115.82 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.26 99.09 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.14 115.23 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 26.9 tt0 -74.91 110.44 9.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.31 165.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.79 97.24 4.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -117.67 147.22 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.981 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -140.31 144.63 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 9.5 mtt -148.03 136.67 21.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.38 140.62 15.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -164.98 173.52 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.796 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -74.95 162.67 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -67.23 -45.13 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -34.4 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -28.26 59.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD2' ' CB ' ' A' ' 47' ' ' LEU . 67.5 mt -66.93 -49.13 66.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.68 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.78 -45.17 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.484 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -58.23 -37.23 61.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -64.77 -30.12 71.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.03 -22.61 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 7.1 mtt180 -77.78 0.94 21.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -73.3 -9.29 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -131.86 7.23 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 30.6 mttt -124.54 -111.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -166.75 170.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 15.0 tt0 -146.02 98.61 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -96.83 -178.87 34.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 161.01 129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ARG . 3.2 tp -37.43 124.81 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CZ ' ' CB ' ' A' ' 32' ' ' ARG . 0.9 OUTLIER -62.15 172.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -178.52 -176.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.28 -50.18 64.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -66.79 -38.91 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.9 -53.19 50.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.584 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 ptp180 -63.89 -15.64 59.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 33' ' ' GLN . 5.9 tp60 -66.58 -42.98 86.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 ' CG2' HG23 ' A' ' 51' ' ' VAL . 10.3 mt -75.13 124.25 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -115.23 173.48 2.9 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.4 2.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.47 50.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.33 -169.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -139.3 150.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -126.2 96.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.5 p -76.49 124.8 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.445 ' CD1' HD22 ' A' ' 7' ' ' LEU . 17.1 m-85 -100.86 150.8 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 45.2 47.65 10.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.11 -61.76 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.14 27.42 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -40.09 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.434 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -135.61 118.8 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -106.89 141.52 37.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 40' ' ' ILE . 27.3 m -141.96 155.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.426 ' NH1' HD21 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -133.61 121.15 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 52' ' ' LYS . 96.3 t -54.71 141.79 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.29 -41.49 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 159.68 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -114.7 147.59 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.09 151.93 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' A' ' 101' ' ' VAL . 3.2 t -129.48 140.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.5 m-85 -126.63 -178.7 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -45.81 32.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -158.02 166.09 33.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.534 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -57.34 -36.18 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 2.3 ttm180 -56.87 -45.44 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -63.67 -32.92 74.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.542 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 3.3 mtp -74.99 -48.83 22.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.11 -28.92 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.2 mm-40 -75.34 -49.51 18.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -64.95 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -54.89 -52.52 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.61 130.33 3.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 76' ' ' VAL . 14.9 tp -63.97 -59.24 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.27 -8.14 29.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.485 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 10.1 m-20 -91.53 -11.12 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.86 -40.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.433 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 1.2 tp -126.32 89.03 53.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.06 -25.67 8.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 69' ' ' LEU . 6.7 p -39.82 152.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -83.57 -35.28 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 m -172.51 165.8 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mt -53.75 -41.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -46.37 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.58 -39.39 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.31 64.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.38 -45.03 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -55.41 -37.51 67.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.96 -49.39 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.534 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 16.1 m-85 -66.79 -26.07 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -28.93 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -73.58 -39.13 64.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -92.89 -51.9 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -96.96 122.77 40.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.29 147.28 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.22 -30.1 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.19 -51.81 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.9 OUTLIER -65.15 -53.28 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -18.93 65.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -59.24 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -100.44 -55.16 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 124.89 -160.09 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 60' ' ' PHE . 2.2 t -107.05 157.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.526 HG13 ' CG ' ' A' ' 27' ' ' TYR . 17.3 m -137.62 107.55 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.516 ' CB ' ' SD ' ' A' ' 63' ' ' MET . . . -78.22 98.12 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' A' ' 31' ' ' ARG . 37.3 pt -99.41 122.69 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 114.34 15.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.423 ' C ' ' CD1' ' A' ' 105' ' ' ILE . 2.2 pp -108.76 145.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.02 105.88 6.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.444 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.5 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.426 HD21 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -115.8 143.83 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -125.46 149.12 48.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' SER . 3.3 mtt -151.51 -172.14 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.93 147.31 14.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 1.7 pt? -169.31 163.03 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.69 148.62 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -38.89 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.14 -34.84 79.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -75.28 -27.43 59.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -33.99 77.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.89 -31.77 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.07 -45.78 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.466 HG23 ' CG1' ' A' ' 49' ' ' VAL . 3.0 mp -59.38 -44.61 92.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -33.14 55.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -85.37 -21.49 28.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 23' ' ' GLU . 14.0 mtt180 -71.59 0.1 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -72.59 -12.22 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -126.86 2.7 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' CD ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mmtm -119.43 -115.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -167.7 172.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 82.0 tt0 -148.6 102.91 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -123.13 150.64 16.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 19.8 mtt180 -161.09 162.03 31.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' TYR . 1.7 tp -55.65 109.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.582 ' CD2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -45.75 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 28.7 m-20 -169.26 173.57 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.9 -48.84 78.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -42.39 95.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -68.54 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -51.14 -42.27 60.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -27.3 68.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 51.9 mt -73.62 130.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' CD ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -129.42 166.37 26.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.01 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.79 52.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.12 -170.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.3 t -136.74 150.94 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.31 140.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -115.33 135.92 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.547 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 38.5 m-85 -112.88 131.56 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 61.37 40.99 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.52 -61.97 1.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.19 34.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -40.23 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD11 ' CG2' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -134.29 123.63 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -107.06 138.06 43.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 15' ' ' ILE . 32.9 m -136.8 158.86 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.43 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 59.7 t -64.3 142.3 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -41.67 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.7 163.66 9.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' HG22 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -120.53 149.07 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 3.0 mtt85 -151.83 154.58 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.19 144.55 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.3 m-85 -130.04 175.15 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -74.92 -44.01 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.69 167.11 31.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.569 ' CD2' HG22 ' A' ' 100' ' ' VAL . 2.6 m-85 -56.42 -36.88 69.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -56.54 -48.7 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.98 -29.96 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.54 ' SD ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 mtp -75.66 -49.58 17.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.3 mm-40 -72.3 -44.41 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -84.77 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.36 -55.06 38.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.48 128.58 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD1' HG11 ' A' ' 76' ' ' VAL . 12.9 tp -59.25 -59.37 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.69 -8.64 29.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.451 ' HA ' ' CD ' ' A' ' 21' ' ' LYS . 8.2 m-80 -94.92 6.88 47.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 64' ' ' LEU . 87.3 t -138.37 -53.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.434 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -115.68 87.48 17.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.84 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.24 -33.17 3.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG11 ' CD1' ' A' ' 69' ' ' LEU . 2.9 p -38.47 155.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -85.22 -34.41 22.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.418 ' C ' HD21 ' A' ' 69' ' ' LEU . 10.3 t -172.7 170.14 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.421 ' N ' HD21 ' A' ' 69' ' ' LEU . 5.6 mt -57.06 -35.65 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -47.98 74.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.73 -37.58 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.73 -43.82 60.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.522 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.2 mt -63.95 -37.74 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -62.11 -37.35 84.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.33 -49.26 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 3.8 m-30 -60.81 -22.15 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -47.72 45.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -75.2 -20.97 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 1.3 m-85 -91.42 -55.59 3.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -115.17 148.03 39.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.18 144.54 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.03 -32.72 61.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -51.57 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.14 81.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' GLY . 3.2 tm-20 -64.92 -53.07 52.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.23 -18.66 65.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -59.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -100.36 -55.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.55 -165.01 13.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 60' ' ' PHE . 2.3 t -99.22 155.11 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.582 HG11 ' CD2' ' A' ' 27' ' ' TYR . 3.4 m -137.66 107.62 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.54 ' CB ' ' SD ' ' A' ' 63' ' ' MET . . . -81.41 98.09 8.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 54' ' ' ILE . 30.8 pt -96.99 134.64 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 8.3 tt0 -90.53 120.29 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -125.01 163.65 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.46 107.62 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.434 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 41' ' ' SER . 97.6 m95 -87.4 132.64 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.45 131.65 46.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 mmt -124.1 -159.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.33 58.13 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.581 ' CD2' ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -75.82 176.28 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.99 157.17 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -50.18 74.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.96 -32.87 61.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -75.59 -28.16 58.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.9 mt -64.17 -46.76 82.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -31.61 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.57 -45.35 94.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 2.2 mp -57.81 -35.56 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -66.02 -35.16 79.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -20.12 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.479 ' CZ ' ' OE1' ' A' ' 23' ' ' GLU . 12.7 mtt180 -76.87 -0.56 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -74.46 -9.25 58.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -118.86 -7.73 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 22' ' ' ILE . 66.1 mttt -115.69 -116.24 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -166.34 171.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 19.1 tp10 -145.35 103.01 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 102' ' ' ALA . . . -115.11 175.48 16.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.74 -178.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 130.71 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 5.6 t80 -71.06 75.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.96 -176.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 22.5 mm-40 -69.01 -46.6 67.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.67 87.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -58.0 -49.95 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 6.1 ptm180 -65.34 -20.33 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -32.35 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.6 143.47 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.85 159.62 69.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.95 47.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.59 -171.96 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 40' ' ' ILE . 73.3 t -136.63 146.31 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.433 ' N ' HG11 ' A' ' 39' ' ' VAL . 4.1 mt -122.14 101.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' TRP . 9.3 p -76.45 147.6 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CG ' ' CD2' ' A' ' 7' ' ' LEU . 16.2 m-30 -122.22 142.41 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 47.96 40.84 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.89 -61.72 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.46 32.06 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -75.62 -40.33 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -136.99 115.42 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -99.43 132.73 44.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG1' HG21 ' A' ' 15' ' ' ILE . 32.6 m -133.99 154.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -134.58 120.83 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.66 140.57 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -41.92 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.37 166.22 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -120.19 149.67 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -150.9 149.47 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.423 ' CG2' HG11 ' A' ' 101' ' ' VAL . 1.8 t -125.09 145.97 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 40.3 m-85 -132.6 179.35 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.68 -45.5 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 178.99 9.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CZ ' HG11 ' A' ' 100' ' ' VAL . 4.8 m-85 -69.4 -43.45 73.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -55.3 -32.99 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -31.75 63.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.532 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 1.1 mtp -75.47 -50.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -65.74 -26.78 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.0 mm-40 -75.54 -39.9 57.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.6 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.59 -53.19 58.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' A' ' 71' ' ' ASN . . . 130.94 121.95 2.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 76' ' ' VAL . 25.7 tp -48.87 -58.86 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.28 -14.45 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.449 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 72.6 m-20 -91.36 22.49 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 64' ' ' LEU . 72.2 t -152.46 -56.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -113.85 92.78 26.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 121.34 -26.0 6.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 69' ' ' LEU . 4.9 p -39.82 150.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -85.18 -36.1 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -170.37 165.76 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 mt -53.05 -36.62 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -49.27 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.68 -40.21 91.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 86' ' ' TYR . . . -52.83 -39.77 56.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.5 mt -66.93 -33.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -66.53 -36.35 82.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.54 -41.76 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 1.9 m-30 -69.81 -29.41 66.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.01 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -85.04 -55.06 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -97.84 137.67 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 141.37 58.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -66.23 -42.47 88.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -55.03 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.08 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.6 OUTLIER -64.14 -53.14 54.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.34 -15.67 62.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.27 -51.84 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.98 -135.45 10.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.553 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 2.0 t -133.25 153.78 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.549 HG13 ' CG ' ' A' ' 27' ' ' TYR . 5.4 m -137.3 110.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.456 ' HA ' ' CA ' ' A' ' 24' ' ' GLY . . . -82.24 97.7 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.488 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.6 mp -89.78 135.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.509 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 16.7 tt0 -91.83 113.67 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -119.4 167.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.59 113.24 1.51 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.454 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.4 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' SER . 41.2 m95 -94.45 154.88 17.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.03 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.48 123.57 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.1 mmt -129.63 -175.29 3.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.71 142.32 9.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 42' ' ' PHE . 1.8 pt? -168.43 149.73 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -40.64 139.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 -31.75 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.39 -36.13 77.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.485 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.07 -38.42 66.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.47 ' CA ' HD23 ' A' ' 47' ' ' LEU . 6.1 mp -55.2 -41.33 71.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -31.41 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.87 -44.66 76.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 1.6 mp -56.18 -45.42 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -31.28 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 2.0 mt -85.67 -19.77 30.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 6.8 mtt85 -73.93 0.56 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.68 -29.83 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 0.29 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 71' ' ' ASN . 6.8 mptt -118.77 -114.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -166.95 175.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.51 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 38.0 tt0 -144.55 99.42 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -86.06 -178.17 49.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mmm-85 158.91 121.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.04 133.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 32' ' ' ARG . 7.0 t80 -61.78 101.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.19 -168.1 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.3 mt-10 -75.87 -41.83 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -41.93 86.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.79 -51.76 67.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 27' ' ' TYR . 15.5 ptp180 -63.86 -21.32 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -37.0 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.5 mt -75.08 160.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.14 164.11 24.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.0 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.57 -35.6 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.25 -179.47 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 40' ' ' ILE . 21.7 t -138.95 151.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' LYS . 1.5 mt -120.08 152.12 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m -124.75 125.29 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 7' ' ' LEU . 47.7 m-85 -98.13 151.85 19.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 39.14 40.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.87 -63.21 2.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -168.03 29.08 0.16 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -75.58 -31.48 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' CA ' ' A' ' 12' ' ' LEU . 44.0 tp -151.79 132.37 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' HE3' ' CA ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -126.8 150.02 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 17.8 m -140.13 160.0 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.429 ' NH1' HD23 ' A' ' 108' ' ' LEU . 8.9 ttm105 -128.57 116.58 19.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 79.4 t -54.61 133.49 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -44.22 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.02 157.53 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.425 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.75 149.36 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' O ' ' HB ' ' A' ' 101' ' ' VAL . 10.8 mmm180 -142.7 155.5 44.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.88 140.76 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 63' ' ' MET . 24.9 m-85 -132.22 178.29 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -45.44 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -154.01 166.27 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.673 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -57.92 -36.68 72.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.15 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.44 -42.9 91.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.566 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 1.4 mtp -61.86 -49.76 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.5 -29.3 69.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.69 -43.11 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.09 -52.15 66.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.19 123.74 2.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.482 ' CD2' HG13 ' A' ' 76' ' ' VAL . 11.7 tp -56.59 -58.69 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.36 -18.82 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.414 ' C ' ' HB3' ' A' ' 21' ' ' LYS . 74.0 m-20 -89.8 12.37 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.503 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 55.0 t -137.3 -58.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.573 HD12 ' CE1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -112.42 97.36 39.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.18 4.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.54 -23.12 12.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.482 HG13 ' CD2' ' A' ' 69' ' ' LEU . 14.9 p -40.32 148.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -85.45 -37.11 20.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -167.36 165.56 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.9 mt -54.98 -39.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -45.27 85.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -38.96 93.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.91 -50.39 61.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.54 -40.68 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -57.62 -37.56 73.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.29 -49.48 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.673 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 17.3 m-85 -64.81 -30.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.46 -34.73 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -64.01 -48.02 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -79.42 -52.27 8.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -92.21 143.03 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.68 147.6 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -34.63 64.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -54.72 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -41.78 89.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.9 tm-20 -61.98 -52.56 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -65.07 -13.41 57.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -74.28 -59.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.26 -53.36 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.02 -133.31 8.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 60' ' ' PHE . 2.8 t -133.04 151.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.481 HG23 ' CA ' ' A' ' 27' ' ' TYR . 12.7 m -137.27 108.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.41 ' N ' ' SD ' ' A' ' 63' ' ' MET . . . -74.15 98.24 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.425 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.9 mt -86.15 126.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 29.3 tt0 -93.17 106.62 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.01 173.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.88 101.32 2.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.483 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.97 104.31 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD23 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -101.7 144.6 30.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.1 140.06 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 mtt -140.02 -172.58 3.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.45 62.57 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -75.97 -175.67 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.3 38.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.3 -49.8 74.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 -32.48 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -75.19 -32.53 61.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 42' ' ' PHE . 24.3 mt -60.94 -45.77 93.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.87 -34.06 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.53 -44.99 93.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 49' ' ' VAL . 2.6 mp -56.64 -37.03 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -64.13 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -21.89 29.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 mtt180 -78.45 1.61 21.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -72.46 -11.74 60.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.77 7.28 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -126.15 -115.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -168.19 178.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 11.9 pt-20 -144.47 133.0 22.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 155.59 21.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 17.5 tpt180 175.88 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -38.56 141.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 1.8 t80 -70.79 86.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.89 -174.65 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -65.1 -44.31 89.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 7.1 mmt180 -56.82 -44.83 82.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 9.0 mtp-105 -51.7 -35.82 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -26.85 60.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.9 mt -73.07 146.67 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -147.14 163.41 28.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.38 -34.44 0.38 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.49 -173.31 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 40' ' ' ILE . 66.3 t -136.03 155.91 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.409 ' N ' HG11 ' A' ' 39' ' ' VAL . 3.7 mt -125.45 112.63 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -92.03 119.57 31.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CD1' HD21 ' A' ' 7' ' ' LEU . 13.4 m-85 -101.35 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 49.1 mt-10 45.51 32.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.69 -62.34 1.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 48' ' ' LYS . . . -166.55 26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -76.6 -36.47 57.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -144.43 113.07 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' CE ' ' HA2' ' A' ' 45' ' ' GLY . 8.7 mmtp -107.88 135.74 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 18.1 m -135.61 151.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -127.62 121.48 30.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 66.2 t -54.66 138.71 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 -42.06 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' CD1' HG12 ' A' ' 103' ' ' ILE . 2.0 tt -118.15 149.9 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 6.0 mtm180 -142.97 164.33 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.78 139.75 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 53.1 m-85 -132.29 178.73 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.02 -45.69 33.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.8 178.5 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 84.0 m-85 -61.29 -37.63 83.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -55.71 -56.97 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.97 -32.13 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.548 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 11.3 mtp -75.26 -43.12 53.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -73.16 -32.89 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -76.31 -45.4 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -80.63 -64.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -60.89 -51.44 69.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.62 126.14 2.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 18.6 tp -56.92 -60.25 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.82 -16.62 64.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ILE . 3.4 m-20 -89.41 11.28 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.488 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 83.2 t -137.33 -58.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -111.05 98.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.53 -25.04 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG1' ' HG ' ' A' ' 69' ' ' LEU . 13.8 p -38.81 146.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -38.98 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -162.15 165.85 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.5 mt -55.5 -44.41 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.51 79.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.84 73.13 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.409 1.068 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.73 -35.9 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -60.21 -35.97 76.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 t -65.15 -42.39 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 19.4 m-85 -72.96 -25.2 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 92' ' ' GLU . 1.3 tpp85 -74.55 -38.83 62.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -65.24 -44.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -80.14 -55.16 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -96.02 142.06 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.02 151.03 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 4.0 pt-20 -75.51 -25.56 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -55.63 6.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -44.79 86.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 8.1 tm-20 -62.35 -49.6 74.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 19.7 mmtt -57.34 -17.12 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -101.52 -55.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 123.83 -141.6 13.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.576 HG11 ' CE1' ' A' ' 60' ' ' PHE . 1.8 t -123.92 124.51 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.532 HG13 ' CG ' ' A' ' 27' ' ' TYR . 10.6 m -106.19 107.05 21.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.06 97.84 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.431 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.5 mt -93.51 123.16 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.34 108.44 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.8 158.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 21.5 mm-40 -145.45 112.86 4.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.94 119.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -94.67 145.21 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.49 128.61 29.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.451 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 4.4 mtt -131.11 -174.78 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.42 148.03 18.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.664 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -168.13 -178.86 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -73.69 155.26 39.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.79 -49.17 78.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.04 -33.41 62.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.27 -29.37 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.453 ' CD1' ' HD2' ' A' ' 46' ' ' LYS . 16.5 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.41 -30.81 70.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -59.12 -37.57 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.3 mp -60.98 -44.68 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -67.24 -28.45 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.9 -48.02 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.66 3.97 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -69.05 -30.67 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -84.9 5.59 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 66.3 mmtt -126.23 -103.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.535 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -163.82 179.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.535 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 8.7 tt0 -143.54 112.33 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' CA ' ' HE3' ' A' ' 63' ' ' MET . . . -80.7 165.99 48.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER 170.27 110.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -38.78 135.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 2.1 t80 -71.23 86.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.1 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -72.88 -47.93 41.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -41.3 87.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -58.03 -52.2 66.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.568 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 13.2 ptm180 -64.97 -23.86 67.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.06 65.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.4 mt -75.19 147.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 163.05 53.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.437 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.77 51.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.02 -170.71 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 40' ' ' ILE . 33.8 t -139.33 147.22 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.419 ' N ' HG11 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -122.65 106.75 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 100.0 p -82.76 123.27 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 21.2 m-85 -97.21 149.57 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 40.91 42.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.99 -62.6 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -173.26 29.9 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -76.63 -40.36 49.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.53 116.01 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HE3' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -108.03 137.74 45.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.98 144.9 30.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -121.59 122.23 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 54.6 t -57.45 145.24 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.08 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -42.63 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.59 159.62 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.569 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -111.57 148.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 5.8 mmt180 -148.42 113.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -95.31 146.55 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 34.3 m-85 -129.82 -177.57 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -46.43 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -156.86 167.36 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -59.63 -38.27 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.9 ttm180 -56.46 -37.04 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.69 -37.8 67.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.551 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 2.8 mtp -64.98 -49.72 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.474 ' CD2' ' HB ' ' A' ' 72' ' ' VAL . 40.6 mt -65.93 -29.7 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.3 mm-40 -75.9 -43.74 43.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' MET . 5.8 mm-40 -60.11 -53.18 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.48 125.07 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' CG2' ' A' ' 76' ' ' VAL . 15.2 tp -53.36 -60.83 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.27 -9.33 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 1.5 m-20 -95.07 3.04 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.474 ' HB ' ' CD2' ' A' ' 64' ' ' LEU . 47.0 t -134.93 -46.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.498 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.81 92.44 48.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.82 8.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 109.3 -26.98 13.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.498 ' HB ' ' CD2' ' A' ' 73' ' ' LEU . 11.3 p -39.51 152.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -85.55 -37.44 19.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 t -168.79 171.47 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.1 mt -58.3 -38.91 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -46.79 78.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.51 -40.71 97.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.41 ' CA ' HG23 ' A' ' 76' ' ' VAL . . . -52.76 -46.28 60.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.427 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -58.65 -39.84 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.11 -38.15 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.72 -45.03 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.786 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 11.5 m-30 -65.32 -32.9 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.32 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -53.28 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -76.33 -49.69 16.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -101.65 143.74 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 142.21 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -30.94 67.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.39 -52.88 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -38.84 87.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.4 OUTLIER -64.97 -53.24 49.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -65.51 -15.26 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -74.54 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.34 -55.01 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.31 -154.13 19.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 60' ' ' PHE . 1.6 t -120.83 151.35 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 4.9 p -137.65 116.53 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.36 98.64 11.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.569 ' CG2' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -89.44 133.1 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -89.5 107.94 19.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.423 ' H ' ' CD1' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -103.71 158.08 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 50' ' ' ARG . 2.8 pt-20 -137.86 101.05 8.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.494 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.04 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -149.23 139.03 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.37 169.1 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.9 mtm -174.08 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.46 140.29 18.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' CD1' ' HG ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -165.11 -178.97 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.34 155.81 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG3' ' CE ' ' A' ' 46' ' ' LYS . 12.8 tt0 -62.44 -40.27 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 -36.86 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -30.3 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.493 ' CD2' ' CB ' ' A' ' 47' ' ' LEU . 54.3 mt -68.1 -48.56 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.25 -29.29 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.36 -43.86 84.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG23 ' CG1' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -56.65 -38.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -65.59 -31.7 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -19.61 38.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 9.0 mtt180 -80.68 0.4 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -73.1 -22.61 60.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -3.85 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -113.7 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -168.04 175.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.515 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 4.5 tt0 -142.36 108.22 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -77.42 179.49 50.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER 158.48 135.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 142.36 52.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.43 ' N ' HG12 ' A' ' 101' ' ' VAL . 13.8 t80 -75.48 68.56 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.46 -166.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.6 mt-10 -76.23 -44.12 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -67.13 -41.13 86.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -51.65 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 12.9 ptm180 -63.71 -28.16 69.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -29.49 60.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 51' ' ' VAL . 83.8 mt -72.18 123.66 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 161.64 22.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 86.86 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.56 -30.91 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.45 -171.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.0 t -139.92 146.18 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 mt -120.5 102.29 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.19 147.69 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.453 ' CB ' HD21 ' A' ' 12' ' ' LEU . 19.7 m-85 -128.19 133.9 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 56.07 38.22 29.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -63.06 2.38 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.34 28.59 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' CE ' ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -76.12 -37.3 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.493 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -139.39 112.25 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -105.59 131.95 52.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 15' ' ' ILE . 17.1 m -133.79 151.21 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -129.05 116.49 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 34' ' ' ILE . 95.4 t -46.12 123.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -47.93 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.84 148.66 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.362 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.73 141.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 6.6 mmt85 -143.77 144.57 31.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.35 145.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 48.3 m-85 -133.16 -178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -46.16 31.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -160.13 176.76 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CE1' HG13 ' A' ' 100' ' ' VAL . 65.6 m-85 -61.52 -39.26 90.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.8 tpp85 -56.13 -48.83 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.47 -33.13 74.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.542 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 8.9 mtp -72.08 -50.2 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 21.6 mt -70.5 -27.11 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' OE2' ' CD1' ' A' ' 79' ' ' ILE . 15.5 mm-40 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -54.87 -47.27 74.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.99 128.3 3.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD2' HG13 ' A' ' 76' ' ' VAL . 16.1 tp -61.45 -59.92 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.59 -11.06 57.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 71' ' ' ASN . 1.9 m-80 -94.36 8.68 41.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.484 ' CG2' HG22 ' A' ' 22' ' ' ILE . 92.7 t -136.18 -54.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -118.55 93.21 45.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.28 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.05 -25.51 8.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' CD2' ' A' ' 69' ' ' LEU . 5.8 p -39.5 153.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.55 -34.3 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m -171.43 166.57 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CD1' ' OE2' ' A' ' 65' ' ' GLU . 20.1 mt -53.44 -43.34 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -43.77 98.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -38.34 90.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.51 -48.85 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.57 -40.54 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.09 -38.18 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.78 -50.58 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 60' ' ' PHE . 19.5 m-85 -66.06 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -73.53 -30.88 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.88 -53.41 56.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -79.22 -49.49 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.58 142.48 27.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.51 145.09 54.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.79 -27.67 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.92 -54.46 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.37 77.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 2.0 tm-20 -64.5 -49.43 71.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -63.8 -14.38 52.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -75.23 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -97.36 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.29 -155.63 20.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.573 HG13 ' CE1' ' A' ' 60' ' ' PHE . 2.8 t -112.68 155.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 55' ' ' ARG . 3.3 p -135.86 108.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.93 98.08 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.404 HG12 ' CG1' ' A' ' 54' ' ' ILE . 2.9 mp -95.29 113.0 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.54 106.88 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 105' ' ' ILE . 2.0 pp -97.56 147.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.49 108.49 3.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 18.4 Cg_endo -75.01 120.69 6.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -112.26 146.93 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 159.73 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.38 -175.59 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.3 140.43 7.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -171.39 146.76 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.23 144.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.91 -35.49 66.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.19 -33.27 75.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -26.34 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 42' ' ' PHE . 18.4 mt -68.73 -51.09 45.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -25.64 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 mt -68.0 -36.57 80.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.526 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.7 mp -60.72 -41.3 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 3.5 ttmt -67.32 -50.86 58.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -46.67 87.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.526 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -78.29 4.57 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -68.96 -29.16 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.16 9.55 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.8 mttt -128.85 -107.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.592 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -161.5 173.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.592 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 9.2 tt0 -141.49 108.35 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -77.02 176.0 53.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER 161.24 100.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -36.46 123.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -55.87 158.51 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.09 -174.0 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.89 -49.25 68.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -47.21 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' NH1' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.52 -37.79 87.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.59 -36.22 66.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.4 HD12 ' NH1' ' A' ' 31' ' ' ARG . 77.1 mt -72.67 129.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 160.49 66.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.92 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.72 47.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.91 -170.48 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 40' ' ' ILE . 87.3 t -136.02 141.1 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.422 ' N ' HG11 ' A' ' 39' ' ' VAL . 11.6 mt -109.82 130.1 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.31 139.29 34.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 7' ' ' LEU . 24.6 m-85 -120.08 147.61 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' PHE . 23.4 mm-40 38.04 40.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 -62.66 1.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.8 30.36 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.17 -40.06 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -134.84 116.86 15.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -110.53 126.5 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 m -127.9 163.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -135.11 118.87 17.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.89 141.21 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.72 -42.7 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.3 163.65 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -118.28 144.74 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' HB ' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -141.91 155.61 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.8 t -135.07 139.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 29.2 m-85 -129.7 -179.35 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.69 -45.72 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -159.28 167.12 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.785 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -56.99 -34.83 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.4 tmm_? -56.93 -38.61 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.0 -36.08 66.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.543 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 4.5 mtp -70.75 -48.58 53.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.63 -30.72 70.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 11.1 mm-40 -76.28 -50.15 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.12 -65.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -56.88 -50.71 71.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.67 129.82 3.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD2' HG13 ' A' ' 76' ' ' VAL . 17.0 tp -63.85 -59.85 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.806 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.54 -13.95 62.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.717 ' N ' HD21 ' A' ' 71' ' ' ASN . 0.9 OUTLIER -93.46 11.9 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.438 HG23 ' C ' ' A' ' 71' ' ' ASN . 86.0 t -137.94 -49.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.426 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.04 93.73 43.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.95 -34.86 3.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG13 ' CD2' ' A' ' 69' ' ' LEU . 9.9 p -38.56 148.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -83.37 -38.7 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -161.86 167.23 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.8 mt -55.81 -35.08 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -49.25 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.74 -37.54 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.465 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -52.9 -46.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.559 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 6.6 mt -62.07 -38.57 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -60.43 -36.34 77.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.785 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 8.8 m-30 -68.2 -20.91 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -43.43 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.93 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -111.46 156.04 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.54 143.92 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.43 -32.8 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.06 -54.67 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 1.9 tm-20 -63.16 -53.17 57.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -13.92 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.2 -58.94 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -99.99 -54.51 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.23 -164.78 18.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.52 HG22 ' CG ' ' A' ' 60' ' ' PHE . 3.6 t -100.39 151.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 103' ' ' ILE . 17.2 m -137.02 106.78 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.09 98.84 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.1 mp -94.16 139.08 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.7 tt0 -95.09 116.23 28.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.409 ' H ' ' CD1' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -111.58 158.21 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.14 102.25 7.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.51 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -74.98 98.65 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.41 ' CE2' HG12 ' A' ' 34' ' ' ILE . 19.5 m95 -110.65 158.87 18.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.51 153.09 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.444 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.8 mtm -159.34 158.78 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.61 55.45 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.723 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 2.2 pt? -75.48 171.09 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.462 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 13.0 mt-30 -58.32 149.73 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -65.52 -41.54 93.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.26 -36.02 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 1.7 m-85 -71.16 -41.17 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' CD1' ' HG ' ' A' ' 7' ' ' LEU . 10.7 mp -50.6 -39.77 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -24.55 62.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 13.2 mt -74.76 -42.35 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -56.41 -35.87 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.06 -28.82 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -85.29 -24.46 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 1.6 mtt180 -76.79 1.37 17.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -71.23 -11.92 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -3.31 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -117.33 -112.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -167.21 -167.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.51 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 17.5 tt0 -148.92 127.23 12.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.38 143.24 16.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . 4.7 tpp180 177.59 105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.12 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 32' ' ' ARG . 1.5 t80 -75.36 93.05 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.07 178.74 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.31 -41.23 96.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -47.39 76.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -56.97 -39.63 74.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 27' ' ' TYR . 3.7 ttt180 -54.36 -46.28 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -21.62 59.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 HG12 ' CE2' ' A' ' 3' ' ' TRP . 28.4 mt -70.68 149.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 161.19 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.79 -28.45 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 8.5 m-20 -75.08 -178.2 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.6 t -138.86 151.56 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.96 127.84 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.6 OUTLIER -93.24 123.93 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 40.7 m-85 -107.13 139.66 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 47.51 43.18 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.31 -63.98 2.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.03 28.24 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -76.89 -36.95 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -139.68 126.37 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -125.67 130.61 51.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 m -130.18 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -123.25 118.07 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 85.2 t -44.71 118.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -50.05 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.35 152.96 17.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -109.14 143.55 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 1.1 mmm180 -140.38 153.4 46.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG2' HG11 ' A' ' 101' ' ' VAL . 16.6 t -126.77 140.75 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 32.8 m-85 -132.98 173.22 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -75.19 -43.24 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 176.35 12.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CE1' HG11 ' A' ' 100' ' ' VAL . 2.6 m-85 -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.5 tpp85 -56.49 -45.62 80.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.63 -31.06 71.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.543 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 2.5 mtp -75.42 -49.23 19.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 8.1 mt -72.1 -30.22 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.1 mm-40 -75.32 -44.61 44.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -83.39 -64.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.8 OUTLIER -60.64 -53.32 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.441 ' HA3' ' HB2' ' A' ' 71' ' ' ASN . . . 127.71 128.14 3.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 76' ' ' VAL . 12.0 tp -58.36 -59.3 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -66.4 -9.83 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.491 ' C ' HG23 ' A' ' 72' ' ' VAL . 3.3 m-20 -95.68 10.05 38.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' C ' ' A' ' 71' ' ' ASN . 48.5 t -137.42 -50.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -119.83 97.74 49.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 112.49 -17.17 23.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 69' ' ' LEU . 5.3 p -39.33 152.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.69 -32.75 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -175.96 168.29 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.5 mt -56.22 -44.29 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -42.44 92.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.16 -38.1 85.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.21 -47.88 71.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.49 -42.87 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.95 -38.82 68.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.01 -54.62 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 4.9 m-30 -60.86 -22.99 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -48.72 23.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -71.03 -23.15 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.1 m-85 -88.74 -55.26 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -103.58 154.18 19.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 144.85 48.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.56 -44.4 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.58 74.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.69 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -64.5 -53.6 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -21.44 66.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -59.75 3.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -99.35 -55.46 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.88 -122.26 3.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.566 HG11 ' CE1' ' A' ' 60' ' ' PHE . 3.1 t -140.28 144.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 56' ' ' VAL . 4.8 m -135.36 107.15 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB1' ' CE ' ' A' ' 63' ' ' MET . . . -76.23 97.5 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.8 mp -88.94 123.8 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.89 106.29 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 2.1 pp -103.12 134.75 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.16 111.23 9.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.404 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.4 Cg_endo -74.91 116.34 4.56 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -100.5 148.57 24.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -135.48 119.16 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.65 118.72 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.73 61.08 4.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.631 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -74.6 158.05 34.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.3 142.29 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.5 -48.51 65.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.77 -37.14 59.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -69.52 -40.87 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -50.34 -34.72 24.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.58 -30.89 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' C ' ' HD2' ' A' ' 18' ' ' ARG . 13.9 mt -61.45 -45.58 93.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 107' ' ' PRO . 4.8 mp -56.05 -37.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -32.72 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.27 -25.69 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 72' ' ' VAL . 9.5 mtt-85 -76.49 1.38 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.4 -12.03 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -2.3 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 20.8 mttt -115.05 -114.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.172 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.524 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -167.3 174.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.524 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 6.1 tp10 -154.45 99.38 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.49 172.17 16.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 177.08 145.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' CD2' ' HD3' ' A' ' 94' ' ' LYS . 2.7 tp -40.21 117.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 3.6 t80 -63.77 90.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.45 -165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.96 -44.75 60.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.1 -42.39 98.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -62.74 -34.27 76.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 11.6 ttt180 -57.08 -43.27 81.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -27.8 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -70.35 135.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -146.41 163.24 30.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.82 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.81 -34.22 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.22 -178.74 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -137.08 146.34 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -119.47 124.34 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.53 103.07 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 19.8 m-85 -81.2 135.47 35.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 36.3 mt-10 55.76 41.26 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.3 -60.19 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.69 29.52 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.95 -40.35 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -140.57 112.66 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -98.89 139.27 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -141.5 148.26 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -127.86 114.01 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.6 t -44.61 141.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 -41.39 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.88 158.04 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 103' ' ' ILE . 7.4 tt -118.04 149.74 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -142.35 161.38 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 t -133.43 143.4 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 36.2 m-85 -133.16 178.61 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -45.39 38.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 170.59 21.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 2.3 m-85 -60.82 -37.29 81.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -44.57 82.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.02 -40.53 95.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.532 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 1.7 mtp -62.86 -50.1 72.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -66.66 -31.42 72.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.26 -37.44 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -65.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 mm-40 -63.28 -54.37 38.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.97 122.47 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 ' CG2' ' A' ' 76' ' ' VAL . 8.8 tp -52.52 -59.78 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.96 -17.51 64.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.411 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 68.7 m-20 -95.28 14.61 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.471 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 45.3 t -139.76 -46.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -129.32 96.24 28.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.72 8.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 113.97 -32.22 6.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG2' HD13 ' A' ' 69' ' ' LEU . 11.2 p -39.79 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -85.74 -34.78 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 m -169.0 166.64 11.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.5 mt -52.82 -39.39 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.22 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -38.21 86.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.471 ' CA ' HG23 ' A' ' 76' ' ' VAL . . . -57.77 -50.39 65.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mt -54.94 -39.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.69 -38.34 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -65.18 -40.03 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 10.2 m-85 -74.91 -24.83 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.7 -45.64 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 16.3 ptp180 -66.88 -36.82 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.8 m-85 -77.85 -53.25 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -108.87 146.53 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.31 147.38 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.65 -37.59 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -50.23 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.28 -41.22 75.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.8 OUTLIER -65.17 -52.85 52.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -65.34 -15.81 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -59.28 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.52 -54.2 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.01 -147.71 17.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 60' ' ' PHE . 2.2 t -124.38 153.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 27' ' ' TYR . 10.9 m -137.29 107.04 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.513 ' CB ' ' SD ' ' A' ' 63' ' ' MET . . . -79.01 97.5 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.415 ' CG1' HG13 ' A' ' 54' ' ' ILE . 2.2 mp -88.69 135.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.4 tt0 -94.45 111.59 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.403 ' H ' ' CD1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -106.27 174.34 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -162.18 100.21 1.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.471 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.98 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -87.29 154.62 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.54 127.68 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.46 179.1 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.27 49.86 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 1.7 pp -75.38 179.57 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 153.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -67.98 -42.76 80.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.7 -33.7 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.486 ' CB ' HD12 ' A' ' 7' ' ' LEU . 2.8 m-85 -74.83 -28.83 60.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 42' ' ' PHE . 93.5 mt -63.65 -51.64 64.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -54.67 -24.81 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.46 -42.29 53.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 1.1 mp -56.47 -39.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.82 -29.48 70.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.49 -25.96 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 2.5 mtt180 -75.06 -1.18 21.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.92 -6.32 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -102.89 -25.89 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -125.42 -116.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.575 ' CD1' ' O ' ' A' ' 21' ' ' LYS . 1.4 mm -145.67 -149.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' H ' ' CG2' ' A' ' 22' ' ' ILE . 3.3 pt-20 -152.15 -173.47 4.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -125.76 155.91 19.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 160.27 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 151.52 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.47 ' CA ' HG12 ' A' ' 101' ' ' VAL . 2.9 t80 -75.53 90.95 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.88 -165.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -76.62 -52.97 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -38.02 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' NH2' HG12 ' A' ' 103' ' ' ILE . 4.9 mmm180 -65.65 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -33.75 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.77 -36.12 83.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CG2' HG21 ' A' ' 51' ' ' VAL . 45.5 mt -74.26 148.49 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -147.15 175.42 2.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.06 83.78 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.27 53.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.18 176.2 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 40' ' ' ILE . 87.3 t -136.13 150.17 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.43 ' N ' HG11 ' A' ' 39' ' ' VAL . 2.9 mt -124.62 123.43 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -96.98 104.2 16.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 45.8 m-85 -79.54 144.1 34.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 45.55 49.14 11.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.17 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.89 29.26 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -39.58 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -140.11 119.0 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -105.87 145.5 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG23 ' CE2' ' A' ' 42' ' ' PHE . 28.3 m -146.98 155.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -133.41 126.99 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.464 HG21 ' CG2' ' A' ' 34' ' ' ILE . 18.8 t -59.65 133.22 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.79 -45.59 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.29 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 tt -102.88 149.12 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.499 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 13.1 mmt180 -147.44 126.07 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.4 t -109.32 143.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 35.2 m-85 -128.82 179.55 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.19 -45.6 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.06 173.39 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.677 ' CG ' ' CD2' ' A' ' 86' ' ' TYR . 1.9 m-85 -64.65 -39.91 94.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.63 -35.51 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -73.49 -36.44 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.528 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 3.1 mtp -66.81 -49.53 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 27.0 mt -67.57 -29.89 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.5 mm-40 -75.74 -43.59 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.489 ' OE1' ' CB ' ' A' ' 102' ' ' ALA . 1.8 mt-10 -59.78 -53.1 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.04 120.82 2.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CG ' HG11 ' A' ' 76' ' ' VAL . 13.0 tp -49.59 -60.61 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.42 -20.3 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.06 11.93 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.4 t -137.2 -51.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.58 95.5 48.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 115.24 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.49 -29.39 5.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.487 ' HB ' ' CD2' ' A' ' 73' ' ' LEU . 9.9 p -40.04 151.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -85.39 -39.06 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -167.08 166.11 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.7 mt -53.31 -38.33 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -49.87 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.93 -36.83 80.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.44 -47.3 69.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.536 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.2 mt -60.22 -38.29 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -61.23 -37.73 84.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.08 -40.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.677 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.3 m-30 -70.08 -31.24 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -33.23 62.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -45.28 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.76 -54.27 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -94.02 147.05 23.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.21 149.99 38.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -30.91 60.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -51.53 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -44.39 86.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER -62.99 -53.14 58.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -16.7 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -71.74 -59.29 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.77 -54.71 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.31 -167.32 21.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.568 HG12 ' CD1' ' A' ' 60' ' ' PHE . 2.2 t -104.97 151.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.734 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 55' ' ' ARG . 2.5 p -137.65 108.31 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' A' ' 67' ' ' GLU . . . -77.81 97.71 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.441 HG12 ' NH2' ' A' ' 31' ' ' ARG . 2.9 mt -84.03 133.5 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -89.59 106.27 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.451 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 1.0 OUTLIER -99.38 153.5 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.3 100.55 4.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.431 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.1 Cg_endo -75.04 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' SER . 53.1 m95 -121.2 152.92 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 163.85 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.1 mtm -159.57 -168.73 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.58 138.74 6.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -165.86 168.43 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -64.95 160.04 21.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.73 -46.58 81.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 3.5 mt-10 -54.36 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.491 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -63.74 -41.08 98.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.1 pt-20 -70.64 -32.16 69.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -52.54 -45.52 66.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 3.5 mp -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -52.53 -34.51 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.41 -21.32 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 23' ' ' GLU . 10.3 mtt180 -74.27 0.34 14.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -71.6 -11.96 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 2.37 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 26.3 mttm -120.46 -115.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.581 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -168.14 173.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.581 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 59.4 tt0 -143.6 111.3 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.69 165.38 21.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 6.8 ttm180 176.09 120.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -37.86 127.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CA ' HG11 ' A' ' 101' ' ' VAL . 4.5 t80 -65.41 106.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -160.97 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.54 -40.22 50.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.99 -39.41 90.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 1.5 mmp_? -66.18 -30.57 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.75 -35.93 81.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -26.2 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' CZ ' ' A' ' 31' ' ' ARG . 76.5 mt -70.25 134.58 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -145.98 171.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.19 53.79 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.96 175.12 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -134.43 139.36 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.92 144.23 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' MET . 1.9 t -111.6 147.67 34.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 7' ' ' LEU . 22.9 m-85 -128.66 131.19 48.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.468 ' CG ' HD13 ' A' ' 12' ' ' LEU . 12.9 mm-40 58.57 36.86 25.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.406 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 93.16 -62.52 2.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.46 30.92 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -33.8 61.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 1.3 tm? -151.92 122.22 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' HG13 ' A' ' 49' ' ' VAL . 1.1 mmtp -109.56 143.94 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG1' HG22 ' A' ' 15' ' ' ILE . 11.8 m -131.79 158.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -128.3 119.46 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.28 137.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.8 -43.73 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.6 176.42 7.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.11 145.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 2.8 mtp180 -143.56 142.58 31.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.56 142.45 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 21.5 m-85 -131.12 -176.49 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.72 -45.03 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.6 t -155.28 169.14 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.524 ' CG ' HG23 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.73 -37.4 84.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.56 -36.27 69.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.99 -37.85 66.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.526 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 3.9 mtp -69.67 -46.97 64.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.96 -30.18 68.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.0 mm-40 -75.35 -43.33 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -64.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.53 -52.46 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.89 126.41 2.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 76' ' ' VAL . 15.0 tp -58.29 -58.82 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.39 -13.24 60.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.722 ' N ' HD21 ' A' ' 71' ' ' ASN . 0.8 OUTLIER -95.33 11.61 32.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.6 t -140.27 -47.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.462 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -123.44 92.52 48.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.34 4.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 123.57 -32.28 4.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 69' ' ' LEU . 7.8 p -39.07 149.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -84.9 -37.3 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -165.8 167.51 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mt -56.21 -38.48 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -46.26 83.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.54 -37.19 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.03 50.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.76 -41.18 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -38.09 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.69 -53.75 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.456 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 21.6 m-85 -61.17 -20.39 62.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -47.17 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -74.26 -26.19 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -87.24 -55.15 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.556 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -109.01 138.65 45.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 145.91 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -40.66 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -53.2 60.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' GLY . 8.8 tt0 -64.8 -53.15 51.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -59.05 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -101.02 -54.93 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.62 -141.32 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.524 HG23 ' CG ' ' A' ' 60' ' ' PHE . 2.7 t -121.95 152.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 55' ' ' ARG . 2.3 p -137.17 111.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.74 99.09 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.95 116.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.464 ' CG ' HD11 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -76.0 112.91 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.95 161.89 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.77 103.77 4.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 19' ' ' LYS . 18.4 Cg_endo -74.98 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -102.29 144.41 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.77 150.21 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.408 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 3.5 mtm -151.88 154.55 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.9 71.46 0.48 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.731 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -75.72 -113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -163.13 160.09 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.4 -54.89 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.02 -41.97 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.1 -26.58 59.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 47' ' ' LEU . 24.0 mt -65.68 -46.25 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -26.57 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.12 -43.11 96.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.6 mp -56.58 -45.62 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.46 -24.8 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.56 -49.01 11.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.494 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.11 3.35 10.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.4 OUTLIER -70.01 -29.68 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 9.05 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -131.23 -105.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -165.17 -179.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.543 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 1.4 pp20? -143.15 139.33 30.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 72' ' ' VAL . . . -96.41 150.71 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.8 tpt180 179.26 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD21 ' CE ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -37.22 143.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 1.3 t80 -71.19 70.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.03 -179.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.54 -44.39 96.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -65.6 -48.74 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.424 ' NE ' HD12 ' A' ' 34' ' ' ILE . 2.2 tpt180 -57.01 -31.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 3.6 mtp180 -64.33 -39.88 94.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -75.42 -23.39 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 HD12 ' NE ' ' A' ' 31' ' ' ARG . 88.4 mt -63.64 148.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 163.76 26.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.94 -27.34 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 72.6 m-20 -71.18 -179.51 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.77 144.81 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.17 101.32 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -78.22 146.92 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.731 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 14.8 m-85 -129.19 136.65 50.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 4.7 mm-40 52.35 43.76 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.69 -63.74 3.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.65 28.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -36.07 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CB ' HD23 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -141.61 112.38 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' C ' HG13 ' A' ' 49' ' ' VAL . 6.3 mmtp -109.76 135.32 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 6.4 m -136.73 146.44 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -127.48 125.86 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.1 t -52.75 145.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.24 -40.25 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -163.19 160.82 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -116.53 149.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -142.07 160.33 40.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.02 139.47 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.538 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 24.0 m-85 -132.71 179.82 5.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -75.98 -46.28 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.76 168.64 25.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.726 ' CG ' ' CD2' ' A' ' 86' ' ' TYR . 2.4 m-85 -57.24 -37.74 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -55.68 -48.89 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -62.35 -30.16 70.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.538 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 12.9 mtp -75.81 -47.79 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' O ' ' CA ' ' A' ' 68' ' ' GLY . 53.4 mt -68.48 -35.33 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.28 -46.0 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 9.6 ttpp -78.77 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' MET . 1.4 tm-20 -60.72 -50.6 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 129.91 124.4 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 76' ' ' VAL . 17.4 tp -55.73 -60.69 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.45 -14.34 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.476 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 4.6 m-20 -91.99 6.37 46.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 22' ' ' ILE . 90.1 t -134.93 -46.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 3.8 tp -125.24 92.54 47.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.21 -28.88 5.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.479 ' HB ' ' CD2' ' A' ' 73' ' ' LEU . 7.2 p -39.92 149.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -85.41 -35.86 21.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 m -167.81 165.71 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 1.3 mm -52.99 -40.78 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -43.72 93.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -38.84 92.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 76' ' ' VAL . . . -55.44 -50.68 58.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 6.4 mt -56.19 -38.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.55 -43.74 96.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.8 -36.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.726 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.7 m-30 -74.74 -26.46 59.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -39.77 59.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -61.1 -47.44 86.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.3 -54.24 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -99.78 149.15 23.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -71.84 150.78 43.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -34.55 61.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -51.48 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' CE ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.86 -41.86 71.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.5 tm-20 -64.93 -52.28 57.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -64.3 -14.44 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -56.03 5.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.77 -55.1 2.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.71 -141.37 12.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.517 HG22 ' CG ' ' A' ' 60' ' ' PHE . 2.3 t -131.39 155.28 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.514 HG13 ' CG ' ' A' ' 27' ' ' TYR . 3.0 m -136.92 106.78 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.49 98.01 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.1 mt -95.06 122.74 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 44.2 tt0 -82.37 106.74 14.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.2 159.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.482 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 3.7 pt-20 -144.54 109.19 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.507 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.4 Cg_endo -74.98 119.61 5.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -91.99 149.05 21.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.76 125.24 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 mtt -127.74 -170.2 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.47 150.56 22.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -174.73 161.09 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.59 138.85 17.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.82 -36.49 58.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.72 -34.39 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -38.82 65.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 46' ' ' LYS . 5.0 mp -53.91 -42.73 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -34.29 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.9 mt -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 mp -63.19 -47.79 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -66.71 -22.37 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.37 -47.56 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -77.22 3.27 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.2 pttm -70.1 -30.21 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.84 8.51 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 7.8 mttp -132.44 -104.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -162.99 179.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.541 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 38.9 tt0 -143.58 112.05 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.68 152.27 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 179.38 108.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 HD22 ' CD ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -36.94 132.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 0.7 OUTLIER -65.86 163.76 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -168.43 -177.32 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.89 -50.35 73.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -57.88 -47.15 83.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -41.25 60.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.68 -25.78 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.1 mt -74.74 125.54 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 166.73 24.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.84 49.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.15 -170.78 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.01 145.4 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 51' ' ' VAL . 4.8 mt -123.84 115.22 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 57.9 p -87.53 135.45 33.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 7' ' ' LEU . 8.4 m-85 -112.15 120.01 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 16.4 mm-40 68.49 44.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.12 -63.91 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.79 28.87 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 4.2 tmtm? -76.61 -39.78 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.09 112.57 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 5.6 mmtp -105.01 131.01 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -129.12 157.32 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -130.6 116.08 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 40' ' ' ILE . 90.1 t -48.58 134.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -44.36 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.81 172.31 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.491 ' CD1' HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -126.07 149.89 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -150.63 154.02 36.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG2' HG11 ' A' ' 101' ' ' VAL . 45.0 t -130.8 145.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.541 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 26.4 m-85 -133.08 -178.26 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -46.29 29.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 167.87 29.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.795 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -61.66 -36.75 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -36.82 73.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -71.46 -32.46 68.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 67' ' ' GLU . 2.3 mtp -74.97 -50.22 17.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.2 mt -60.47 -31.59 70.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.26 -47.4 20.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.88 -67.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 63' ' ' MET . 65.6 mm-40 -58.27 -42.66 86.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 116.97 122.65 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD2' HG11 ' A' ' 76' ' ' VAL . 10.9 tp -52.72 -60.31 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.2 -11.74 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.493 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 30.6 m-20 -95.64 5.96 50.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.2 t -136.19 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -118.73 89.32 37.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 125.52 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.42 -35.7 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 69' ' ' LEU . 5.4 p -38.6 152.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -85.36 -35.33 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.419 ' C ' HD23 ' A' ' 69' ' ' LEU . 7.1 m -166.73 164.68 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.9 mt -52.74 -37.05 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -47.6 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.73 -36.91 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.457 ' CA ' HG23 ' A' ' 76' ' ' VAL . . . -53.84 -49.68 57.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -55.74 -40.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.05 -40.57 77.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.81 -40.59 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.795 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 19.1 m-85 -74.94 -20.64 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -46.45 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 8.6 ptp180 -69.92 -33.8 72.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 2.4 m-85 -82.49 -55.05 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -105.5 143.26 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -63.8 145.11 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.13 77.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.07 -53.33 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' CD ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.74 -43.67 72.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.2 tm-20 -63.24 -52.51 61.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -19.55 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' GLU . 23.6 ttmt -67.82 -58.28 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.11 -55.58 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 126.78 -139.5 11.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 60' ' ' PHE . 3.0 t -128.31 154.44 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.467 HG11 ' CG2' ' A' ' 56' ' ' VAL . 30.1 m -137.34 106.63 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.45 98.57 7.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 54' ' ' ILE . 6.1 pt -96.19 138.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 3.4 tt0 -95.49 122.58 38.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -111.87 176.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -160.78 102.62 1.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.451 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.5 Cg_endo -75.03 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -113.8 155.95 24.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.971 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.09 128.76 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 7.3 mtt -130.84 176.44 8.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.18 137.02 7.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -166.13 157.39 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -45.26 144.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.76 -37.79 74.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.7 -45.33 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 2.0 m-85 -62.52 -45.1 94.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 46' ' ' LYS . 7.5 mp -50.61 -47.56 58.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.5 mt -70.68 -31.79 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.531 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.6 mp -62.35 -41.99 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -42.95 84.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -48.12 61.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.531 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -76.59 4.31 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 1.6 pttt -69.3 -28.31 66.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 9.02 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 2.8 mttm -129.76 -101.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -163.22 176.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 13.8 tt0 -142.38 76.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -51.75 172.23 0.27 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 159.43 117.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.19 135.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.517 ' CG ' HG12 ' A' ' 101' ' ' VAL . 1.7 t80 -74.7 107.82 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -102.52 -169.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.9 -43.27 75.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -45.73 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -63.37 -31.47 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 10.2 mtp180 -63.27 -40.83 98.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -22.83 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.6 141.18 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 171.97 5.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.33 55.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.3 177.84 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 50.7 t -136.31 150.45 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.407 ' CG2' ' HG3' ' A' ' 5' ' ' MET . 5.2 mt -127.43 132.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -104.24 124.75 49.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CD2' ' CD2' ' A' ' 7' ' ' LEU . 5.0 m-85 -101.24 126.08 47.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 64.84 41.34 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.74 -62.45 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.21 28.93 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 5.8 tmtm? -76.72 -39.42 51.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -130.5 117.16 19.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.6 mmtp -111.01 112.11 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 18.4 m -114.43 152.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.91 114.19 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.4 t -50.01 130.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.27 167.01 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.67 149.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.81 144.97 24.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 101' ' ' VAL . 3.0 t -125.27 141.81 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CE1' ' HB1' ' A' ' 102' ' ' ALA . 24.9 m-85 -125.34 178.15 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -75.33 -45.6 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -158.9 158.56 33.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.682 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -52.6 -32.3 40.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -40.74 93.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.61 -28.02 63.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -75.43 -47.1 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -67.65 -33.98 76.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -76.23 -47.91 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -78.59 -65.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -56.85 -49.62 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 72' ' ' VAL . . . 127.66 125.65 2.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD2' HG12 ' A' ' 76' ' ' VAL . 56.7 tp -53.59 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.52 -11.96 60.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.474 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 7.7 m-80 -95.26 18.94 11.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.411 HG21 ' CG2' ' A' ' 22' ' ' ILE . 55.7 t -146.8 -55.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -122.4 94.4 47.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.21 7.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.54 -31.22 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.5 HG12 ' CD2' ' A' ' 69' ' ' LEU . 7.5 p -38.93 150.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -84.92 -37.82 20.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -166.95 169.95 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 3.1 mm -54.4 -39.09 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -49.53 75.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.2 -49.68 55.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mt -58.88 -42.5 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -56.04 -38.02 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.01 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.682 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 14.9 m-85 -75.28 -24.38 57.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -74.73 -43.03 57.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -63.66 -42.84 98.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 11.6 m-85 -82.53 -55.1 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -103.02 143.57 32.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.8 148.31 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 0.3 OUTLIER -74.23 -28.94 61.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -52.95 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.02 83.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.7 OUTLIER -62.1 -53.41 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -15.74 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -100.45 -54.56 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.14 -159.73 19.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 60' ' ' PHE . 1.7 t -113.77 153.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.517 HG12 ' CG ' ' A' ' 27' ' ' TYR . 31.4 m -137.46 114.64 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 57' ' ' TYR . . . -87.8 98.67 11.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -95.94 127.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -85.15 108.83 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 163.13 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -143.06 100.94 5.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.532 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -141.03 139.98 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -127.58 138.55 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 24.0 mtt -150.17 111.9 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.44 ' CA ' ' OE2' ' A' ' 43' ' ' GLU . . . -79.69 156.67 40.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 5' ' ' MET . 0.5 OUTLIER -170.48 -179.12 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.751 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 157.77 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -39.3 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.14 -46.02 89.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.468 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.34 -29.1 70.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 47' ' ' LEU . 79.8 mt -67.48 -51.08 55.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.99 -32.43 70.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.87 -45.67 93.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.423 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -56.39 -38.83 57.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -28.35 69.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.9 -22.34 27.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 23' ' ' GLU . 3.3 mtt-85 -77.73 1.45 20.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -72.35 -11.67 60.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -127.29 3.71 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 35.1 mmtt -116.67 -113.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -167.16 173.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 5.1 tt0 -144.15 125.45 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.51 165.82 22.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 ptm85 176.74 137.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -37.46 111.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -50.85 115.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.99 -175.94 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.91 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 2.3 tpp180 -58.76 -43.21 90.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 1.8 mtt180 -54.25 -40.87 68.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -25.27 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.76 141.14 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 162.59 55.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 98.86 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.08 -26.97 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.2 m-20 -75.6 -176.24 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.75 145.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.17 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.453 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 46.8 t -94.2 136.02 34.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.481 ' CG ' HD23 ' A' ' 7' ' ' LEU . 16.0 m-30 -112.62 131.24 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' OE2' ' CA ' ' A' ' 6' ' ' GLY . 24.2 mm-40 58.22 49.67 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.07 -60.24 4.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.72 30.67 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -76.03 -40.19 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.19 115.98 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 8.3 mmtp -109.46 126.65 53.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 18.5 m -131.61 152.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 38' ' ' ASP . 3.6 tmm_? -130.78 127.5 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.1 t -59.67 144.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -41.44 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.22 152.23 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.462 ' CG1' HG22 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -105.12 150.08 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 87.7 mtt180 -154.35 136.08 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 57' ' ' TYR . 41.4 t -116.04 147.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 41.2 m-85 -132.92 179.34 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -76.48 -45.48 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -154.65 171.14 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.438 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -62.77 -37.99 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.74 -43.62 80.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.2 -33.62 75.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.544 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -75.29 -47.75 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -71.07 -32.26 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.8 mm-40 -76.37 -45.27 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -82.94 -64.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.5 OUTLIER -59.89 -53.52 56.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.57 129.59 3.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' CG ' HG12 ' A' ' 76' ' ' VAL . 8.5 tp -63.12 -59.3 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -11.99 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.553 ' N ' HD21 ' A' ' 71' ' ' ASN . 1.5 m-80 -96.08 6.84 47.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 22' ' ' ILE . 71.4 t -137.51 -51.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 1.0 OUTLIER -116.78 83.66 14.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.79 -35.9 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.488 HG12 ' CG ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -43.39 157.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -85.52 -31.64 22.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t -176.81 171.88 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -55.46 -33.43 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -52.15 56.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.49 -31.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.22 -45.59 95.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.592 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 1.6 mt -61.94 -27.85 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.04 -37.49 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.4 t -65.28 -34.38 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 2.5 m-30 -77.6 -14.48 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -75.69 -50.27 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 2.2 ptm180 -67.1 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 3.6 m-85 -87.48 -55.41 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.26 -161.7 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -153.25 174.31 14.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -76.44 -35.39 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -54.95 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 -47.59 73.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 99' ' ' GLY . 5.5 tt0 -65.43 -51.21 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -56.82 -18.42 12.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -72.49 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -102.24 -55.55 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.09 -179.37 16.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -98.74 122.24 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 27' ' ' TYR . 10.1 p -105.08 107.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.82 98.43 9.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.462 HG22 ' CG1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -96.8 134.54 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.68 106.25 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.462 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 2.2 pp -94.5 142.54 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -133.12 99.69 14.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.0 108.04 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -124.18 134.98 53.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.19 150.98 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 mtm -153.68 -178.93 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.55 147.42 17.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 1.4 pt? -172.57 171.91 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.93 162.29 4.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.54 -42.13 92.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.74 -36.3 82.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -27.78 63.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.498 ' CD2' ' CB ' ' A' ' 42' ' ' PHE . 2.2 mt -64.35 -43.93 93.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.28 -30.2 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 5.9 mt -52.6 -33.98 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.533 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.8 mp -65.8 -46.61 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -25.67 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.01 -46.97 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.533 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.98 4.25 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.8 pttp -68.89 -29.56 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -85.66 5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.4 mttt -126.78 -107.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -163.65 179.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.54 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 46.7 tt0 -143.15 116.7 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 154.71 21.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 178.88 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -37.23 133.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 1.1 t80 -65.74 77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.25 -165.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 2.1 mt-10 -75.23 -51.79 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -36.13 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -61.14 -49.78 75.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 8.1 ptp180 -64.68 -24.13 67.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -74.44 -31.33 62.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.0 mt -74.94 124.31 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -119.01 165.84 15.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -74.98 79.35 2.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.23 49.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.21 -171.19 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 40' ' ' ILE . 76.4 t -137.01 146.99 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.459 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.4 mt -119.14 148.92 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 44' ' ' GLY . 33.1 t -125.98 147.38 49.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 58.3 m-85 -126.29 136.53 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 46' ' ' LYS . 7.3 mm-40 61.69 17.83 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.422 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 102.86 -55.75 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.28 27.18 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 16.3 tptt -71.67 -45.07 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 15' ' ' ILE . 1.4 tm? -149.19 119.16 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -102.92 143.45 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 15' ' ' ILE . 34.5 m -137.45 169.79 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -144.25 125.48 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.07 143.13 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -42.02 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.45 162.88 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -121.16 148.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' O ' ' CA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.03 147.5 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' CG2' HG13 ' A' ' 101' ' ' VAL . 2.1 t -123.37 146.5 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.556 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 49.7 m-85 -132.36 -178.97 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -76.11 -46.49 28.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 169.46 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.805 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -58.95 -36.26 74.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -55.9 -44.55 78.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.56 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.556 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 4.5 mtp -75.7 -47.34 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 19.0 mt -69.52 -31.17 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.1 mm-40 -76.19 -49.35 17.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -80.69 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 3.9 tp10 -58.65 -50.75 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.6 127.71 3.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 76' ' ' VAL . 16.8 tp -57.53 -60.02 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.23 -16.0 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.725 ' N ' HD21 ' A' ' 71' ' ' ASN . 0.8 OUTLIER -91.94 13.04 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 71' ' ' ASN . 87.9 t -138.07 -50.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 3.5 tp -124.48 98.86 37.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.87 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 114.55 -27.53 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 69' ' ' LEU . 10.0 p -38.37 148.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -83.24 -37.3 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -170.86 172.94 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.5 mt -58.38 -38.62 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.09 84.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -38.92 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -44.8 60.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.413 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 1.8 mt -62.96 -33.57 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.27 -38.81 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.07 -40.9 90.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.805 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 6.8 m-30 -70.37 -33.25 71.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -34.63 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -61.69 -45.5 93.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.89 -54.42 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -91.14 146.98 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 141.92 46.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.58 -34.79 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -53.91 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -45.38 84.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tt0 -57.22 -52.31 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.42 -15.29 62.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -58.82 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -97.52 -55.2 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.9 -150.22 17.29 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 60' ' ' PHE . 2.0 t -115.55 156.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.534 HG12 ' CG ' ' A' ' 27' ' ' TYR . 7.3 m -137.6 107.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.49 98.13 6.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.507 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 15.9 pt -101.33 133.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.0 tt0 -92.67 114.03 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.407 ' H ' ' CD1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -104.18 170.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -144.58 103.44 4.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.469 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.01 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.459 ' H ' ' CD1' ' A' ' 108' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -140.22 147.09 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 107.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 2.7 tt0 -132.32 169.49 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' SER . 24.8 mmt -152.24 175.47 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -140.05 128.41 3.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 11' ' ' PHE . 1.1 pt? -164.07 177.97 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 166.74 23.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.0 -40.41 65.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.33 -35.38 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -74.91 -27.24 60.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 47' ' ' LEU . 20.1 mt -62.85 -43.56 98.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.17 -35.98 70.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 3.7 mp -58.66 -43.47 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -56.48 -31.03 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.83 -23.89 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 4.2 mtt180 -74.91 1.37 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.37 -27.73 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -109.78 -1.5 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 16.5 mttt -116.67 -116.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -168.71 178.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.521 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 8.1 pt-20 -144.67 129.28 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.06 159.39 20.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 103' ' ' ILE . 0.6 OUTLIER 169.67 117.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.278 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -39.87 144.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CG ' HG13 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -75.24 127.27 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -116.68 178.96 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.38 -34.89 73.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.65 -44.24 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.594 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 2.0 mmt180 -58.06 -41.85 84.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -50.79 -39.7 53.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.37 -29.39 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.594 ' CD1' ' CZ ' ' A' ' 31' ' ' ARG . 70.9 mt -69.39 150.28 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -146.22 163.12 31.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.95 95.44 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.59 -28.6 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.409 ' C ' HG22 ' A' ' 39' ' ' VAL . 12.1 m-20 -75.54 -172.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG22 ' C ' ' A' ' 38' ' ' ASP . 96.5 t -135.87 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mt -116.89 116.39 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.49 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 4.7 t -84.3 145.69 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.947 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.443 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 5.1 m-85 -125.17 131.4 53.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.61 43.4 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 88.71 -61.45 3.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.54 28.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.77 -39.45 44.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -132.61 116.39 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -106.56 138.65 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 1.8 m -139.94 161.26 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -137.1 118.06 14.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.245 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.5 t -48.46 145.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -41.66 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 155.68 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.28 144.6 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.512 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -145.1 147.0 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.1 t -122.66 145.73 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.58 ' CG ' ' CG ' ' A' ' 63' ' ' MET . 16.1 m-85 -132.49 179.6 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -46.36 27.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.16 -175.6 5.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.586 ' CE1' HG11 ' A' ' 100' ' ' VAL . 24.0 m-85 -70.23 -40.14 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -55.6 -45.32 77.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -66.67 -41.39 88.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.58 ' CG ' ' CG ' ' A' ' 57' ' ' TYR . 13.3 mtp -61.37 -50.91 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.29 -30.73 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -83.49 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.6 mm-40 -61.4 -54.66 40.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.41 127.34 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD12 ' CG2' ' A' ' 76' ' ' VAL . 37.5 tp -51.79 -61.6 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.76 -12.48 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 36.8 m-20 -94.89 8.5 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 22' ' ' ILE . 88.3 t -137.66 -49.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.482 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -125.88 94.87 41.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.94 11.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 110.07 -31.2 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG2' HD12 ' A' ' 69' ' ' LEU . 7.2 p -38.3 152.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -86.0 -35.7 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 m -168.83 168.67 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.4 mt -55.74 -40.35 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.54 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.34 -39.51 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.84 -44.69 61.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.79 -41.96 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -55.12 -36.9 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 86' ' ' TYR . 1.3 t -65.19 -48.01 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.579 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . 12.7 m-85 -67.66 -22.17 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -47.69 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 2.6 ptm85 -69.61 -35.33 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.0 m-85 -76.1 -55.53 5.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.08 153.27 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.63 148.21 46.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -37.39 61.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -54.28 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -36.2 76.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.564 ' OE2' ' CZ ' ' A' ' 60' ' ' PHE . 9.6 tp10 -65.2 -54.04 35.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -15.68 62.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -59.01 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.04 -53.26 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.62 -124.77 4.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 60' ' ' PHE . 2.3 t -144.96 150.66 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.522 HG13 ' CG ' ' A' ' 27' ' ' TYR . 2.8 p -136.33 107.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.57 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . . . -83.51 97.97 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.47 ' CD1' ' HD2' ' A' ' 25' ' ' ARG . 2.8 mt -89.95 125.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.29 106.68 15.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.8 162.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -138.17 93.49 11.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.543 0.211 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -139.64 141.84 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -111.51 141.38 45.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.01 138.59 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.495 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 7.4 mtt -151.24 -175.07 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.15 147.38 16.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.611 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -167.13 158.52 12.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -50.51 144.32 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -42.38 66.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.23 -36.19 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -74.18 -27.11 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 47' ' ' LEU . 66.9 mt -65.93 -49.64 67.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.67 -34.22 61.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -56.4 -45.16 80.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 HG21 ' CG1' ' A' ' 49' ' ' VAL . 0.8 OUTLIER -57.34 -37.57 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' CE ' HD21 ' A' ' 47' ' ' LEU . 5.0 mtmt -65.53 -29.02 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.54 -18.5 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 4.7 mtt180 -84.29 1.15 46.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -10.46 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -130.09 6.7 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' O ' HG12 ' A' ' 22' ' ' ILE . 24.9 mttt -125.7 -114.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.549 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -166.98 172.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.549 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -143.27 114.73 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -85.12 173.01 48.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 158.46 104.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.3 133.66 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CB ' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -59.03 129.3 41.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -126.03 -175.25 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.81 -51.24 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -39.45 86.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' CZ ' ' HD3' ' A' ' 25' ' ' ARG . 2.7 tpp180 -64.41 -44.19 92.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -50.98 -38.14 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.03 -28.96 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 51' ' ' VAL . 79.8 mt -69.61 121.87 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.24 161.48 56.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 84.78 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.99 49.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.88 -166.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -139.04 148.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.433 HD11 ' CG2' ' A' ' 51' ' ' VAL . 2.1 mt -122.14 113.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -89.89 127.6 36.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.611 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 28.8 m-85 -105.87 141.93 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 46.22 40.49 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.34 -62.64 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.3 29.51 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' CB ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -135.85 112.63 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.407 ' C ' HG12 ' A' ' 49' ' ' VAL . 10.6 mmtp -102.82 133.55 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG1' HG21 ' A' ' 15' ' ' ILE . 32.7 m -136.91 153.82 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . 4.6 ttp180 -131.11 119.83 22.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 34' ' ' ILE . 61.0 t -50.64 138.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 -43.11 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.98 157.39 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.47 144.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.94 160.72 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -135.39 140.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CG ' ' HG2' ' A' ' 63' ' ' MET . 17.8 m-85 -133.12 -176.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -76.45 -46.28 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.459 ' HA ' ' CG2' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -165.8 -178.61 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.574 ' CZ ' ' HG3' ' A' ' 95' ' ' GLU . 32.1 m-85 -60.58 -38.72 85.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 9.4 tpp180 -55.46 -52.88 62.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -65.44 -29.22 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.555 ' HG2' ' CG ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -72.9 -49.66 28.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 69' ' ' LEU . 63.1 mt -71.97 -32.23 67.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 72.9 mt-10 -75.47 -43.71 47.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 19.5 ttmt -83.05 -64.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.1 tm-20 -61.45 -52.63 63.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.26 129.59 3.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' ' CG1' ' A' ' 76' ' ' VAL . 24.0 tp -60.89 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.49 -12.36 60.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.598 ' N ' HD21 ' A' ' 71' ' ' ASN . 1.3 m-80 -92.91 6.3 48.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' A' ' 22' ' ' ILE . 94.1 t -133.99 -52.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -117.58 95.61 47.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.23 -25.98 8.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' HB ' ' CD2' ' A' ' 73' ' ' LEU . 7.0 p -39.43 148.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -85.42 -35.1 21.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 m -167.4 167.81 13.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.3 mt -55.32 -44.09 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.88 99.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -38.79 92.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.75 -49.48 78.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -55.46 -41.92 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.39 -38.32 74.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.21 -41.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -75.1 -25.15 58.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -43.78 51.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -66.36 -37.74 85.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.501 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 7.8 m-85 -83.77 -55.2 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -97.79 136.26 38.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.15 153.54 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.15 -35.81 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -55.11 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -45.4 77.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.574 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -58.88 -51.44 70.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -65.53 -20.31 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -66.99 -60.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -101.53 -55.46 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 133.06 -126.51 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 59' ' ' SER . 8.1 t -141.26 145.29 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.448 HG21 ' CB ' ' A' ' 27' ' ' TYR . 27.3 m -137.2 108.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.79 98.48 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -85.22 107.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.52 114.23 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.9 pp -112.54 148.95 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.64 107.84 4.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.97 118.4 5.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -100.74 51.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.11 -26.82 9.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -138.63 142.11 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -98.15 144.45 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.98 116.16 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 6.7 mtt -121.77 -175.04 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.97 150.66 22.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.595 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -174.7 178.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 155.6 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.22 -49.26 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.38 -34.04 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.455 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.23 -30.08 62.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 HD21 ' CB ' ' A' ' 42' ' ' PHE . 12.7 mt -65.79 -43.71 87.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -54.88 -35.46 64.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.61 -43.54 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 3.3 mp -59.04 -42.31 85.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -58.7 -29.75 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 -24.69 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 3.5 mtt180 -77.11 0.81 20.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -72.51 -13.25 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -126.32 2.58 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 16.4 mttt -123.04 -113.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -166.41 171.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 4.6 tt0 -143.23 92.86 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' CA ' ' HE2' ' A' ' 63' ' ' MET . . . -66.35 170.52 30.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' LEU . 1.2 ttt180 171.64 114.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.41 135.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.44 ' CG ' HG13 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -69.24 89.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.29 -167.18 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.74 -47.37 39.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.69 -39.65 85.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.524 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 3.6 mmp_? -57.17 -37.8 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -40.66 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -29.04 67.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.524 ' CD1' ' CZ ' ' A' ' 31' ' ' ARG . 96.3 mt -68.14 142.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 164.27 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.34 2.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.01 -30.22 1.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -75.31 171.72 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.3 t -134.37 131.03 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mt -100.88 128.62 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -104.29 118.22 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.595 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 38.5 m-85 -96.75 137.44 35.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 53.7 36.69 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.42 -61.57 3.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.11 28.08 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -75.79 -39.63 56.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -140.71 115.92 9.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -107.17 136.59 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 15' ' ' ILE . 27.1 m -136.4 153.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -129.68 116.56 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.38 146.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.69 -40.17 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -174.1 166.98 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.12 149.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt-85 -157.93 122.23 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.58 151.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 10.7 m-85 -133.22 -179.19 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.15 -46.59 27.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 163.6 37.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.728 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -56.7 -37.68 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -38.52 70.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.31 -28.25 61.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.573 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 9.3 mtp -75.74 -50.26 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.436 ' O ' ' CA ' ' A' ' 68' ' ' GLY . 0.6 OUTLIER -63.63 -31.69 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.98 -45.61 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -76.83 -66.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 72.6 mm-40 -60.12 -49.28 78.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 125.94 126.9 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD1' ' CG1' ' A' ' 76' ' ' VAL . 19.4 tp -55.25 -59.4 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.06 -23.57 65.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.422 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 12.1 m-80 -90.04 17.09 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.7 t -139.6 -48.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.489 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -129.43 96.94 26.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.44 4.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.91 -28.74 5.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.491 ' CG1' ' CD1' ' A' ' 69' ' ' LEU . 7.4 p -39.97 148.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -85.74 -36.11 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 m -168.36 164.97 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.73 -40.5 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -45.17 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.5 -39.63 94.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -52.93 -46.84 60.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -58.43 -41.74 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.5 -37.47 67.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 t -64.57 -48.86 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.728 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 13.3 m-30 -64.72 -21.85 66.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -75.59 -45.64 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -71.76 -32.06 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.77 -53.67 5.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 86' ' ' TYR . 3.9 m-85 -111.32 146.4 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.83 145.72 55.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.468 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 42.9 tp10 -73.02 -38.01 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -53.78 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -42.19 78.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 17.0 tt0 -64.31 -52.95 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -16.47 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -74.62 -59.48 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.29 -55.47 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.5 -145.93 16.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 60' ' ' PHE . 1.7 t -125.37 149.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.44 HG13 ' CG ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -136.09 115.82 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.26 99.09 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -89.14 115.23 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 26.9 tt0 -74.91 110.44 9.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.31 165.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.79 97.24 4.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.43 84.07 3.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -126.24 -98.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tpt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.517 0.198 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -106.63 145.2 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -117.67 147.22 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.981 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -140.31 144.63 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 9.5 mtt -148.03 136.67 21.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.38 140.62 15.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD22 ' CD1' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -164.98 173.52 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.796 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -74.95 162.67 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -67.23 -45.13 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -34.4 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -28.26 59.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' CD2' ' CB ' ' A' ' 47' ' ' LEU . 67.5 mt -66.93 -49.13 66.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.68 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.78 -45.17 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.484 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -58.23 -37.23 61.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 ttmt -64.77 -30.12 71.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.03 -22.61 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 7.1 mtt180 -77.78 0.94 21.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -73.3 -9.29 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -131.86 7.23 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 30.6 mttt -124.54 -111.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -166.75 170.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 15.0 tt0 -146.02 98.61 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -96.83 -178.87 34.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 161.01 129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ARG . 3.2 tp -37.43 124.81 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CZ ' ' CB ' ' A' ' 32' ' ' ARG . 0.9 OUTLIER -62.15 172.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -178.52 -176.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.28 -50.18 64.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -66.79 -38.91 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.9 -53.19 50.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.584 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 ptp180 -63.89 -15.64 59.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 33' ' ' GLN . 5.9 tp60 -66.58 -42.98 86.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 ' CG2' HG23 ' A' ' 51' ' ' VAL . 10.3 mt -75.13 124.25 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -115.23 173.48 2.9 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.4 2.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.47 50.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.33 -169.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -139.3 150.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.421 ' CD1' HG22 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -126.2 96.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.5 p -76.49 124.8 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.445 ' CD1' HD22 ' A' ' 7' ' ' LEU . 17.1 m-85 -100.86 150.8 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 45.2 47.65 10.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.11 -61.76 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.14 27.42 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -40.09 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.434 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -135.61 118.8 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -106.89 141.52 37.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG22 ' CD1' ' A' ' 40' ' ' ILE . 27.3 m -141.96 155.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.426 ' NH1' HD21 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -133.61 121.15 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 52' ' ' LYS . 96.3 t -54.71 141.79 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.43 ' N ' HG13 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -111.29 -41.49 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 159.68 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -114.7 147.59 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.09 151.93 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' A' ' 101' ' ' VAL . 3.2 t -129.48 140.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.5 m-85 -126.63 -178.7 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -45.81 32.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -158.02 166.09 33.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.534 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -57.34 -36.18 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 2.3 ttm180 -56.87 -45.44 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -63.67 -32.92 74.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.542 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 3.3 mtp -74.99 -48.83 22.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.11 -28.92 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.2 mm-40 -75.34 -49.51 18.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -64.95 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -54.89 -52.52 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.61 130.33 3.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 76' ' ' VAL . 14.9 tp -63.97 -59.24 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.27 -8.14 29.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.485 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 10.1 m-20 -91.53 -11.12 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -121.86 -40.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 1.2 tp -126.32 89.03 53.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.06 -25.67 8.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 69' ' ' LEU . 6.7 p -39.82 152.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -83.57 -35.28 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.6 m -172.51 165.8 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mt -53.75 -41.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -46.37 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.58 -39.39 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.31 64.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.38 -45.03 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -55.41 -37.51 67.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.96 -49.39 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.534 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 16.1 m-85 -66.79 -26.07 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -28.93 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -73.58 -39.13 64.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -92.89 -51.9 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -96.96 122.77 40.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.29 147.28 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.22 -30.1 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.19 -51.81 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.9 OUTLIER -65.15 -53.28 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -18.93 65.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -59.24 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -100.44 -55.16 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 124.89 -160.09 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 60' ' ' PHE . 2.2 t -107.05 157.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.526 HG13 ' CG ' ' A' ' 27' ' ' TYR . 17.3 m -137.62 107.55 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.516 ' CB ' ' SD ' ' A' ' 63' ' ' MET . . . -78.22 98.12 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' A' ' 31' ' ' ARG . 37.3 pt -99.41 122.69 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 114.34 15.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.423 ' C ' ' CD1' ' A' ' 105' ' ' ILE . 2.2 pp -108.76 145.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.02 105.88 6.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.444 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.5 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.426 HD21 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -73.26 58.43 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 110' ' ' TYR . 0.7 OUTLIER -117.8 -9.39 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' GLU . 16.4 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.46 157.13 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -115.8 143.83 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -125.46 149.12 48.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' SER . 3.3 mtt -151.51 -172.14 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.93 147.31 14.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 1.7 pt? -169.31 163.03 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.69 148.62 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -38.89 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.14 -34.84 79.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -75.28 -27.43 59.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.65 -33.99 77.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.89 -31.77 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.07 -45.78 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG23 ' CG1' ' A' ' 49' ' ' VAL . 3.0 mp -59.38 -44.61 92.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -33.14 55.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -85.37 -21.49 28.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 23' ' ' GLU . 14.0 mtt180 -71.59 0.1 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -72.59 -12.22 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -126.86 2.7 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' CD ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mmtm -119.43 -115.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.519 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -167.7 172.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.519 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 82.0 tt0 -148.6 102.91 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -123.13 150.64 16.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 19.8 mtt180 -161.09 162.03 31.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' TYR . 1.7 tp -55.65 109.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.582 ' CD2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -45.75 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 28.7 m-20 -169.26 173.57 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.9 -48.84 78.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -42.39 95.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -68.54 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -51.14 -42.27 60.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -27.3 68.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' CD1' ' HA ' ' A' ' 31' ' ' ARG . 51.9 mt -73.62 130.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' CD ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -129.42 166.37 26.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.01 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.79 52.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.12 -170.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.3 t -136.74 150.94 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.31 140.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -115.33 135.92 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.547 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 38.5 m-85 -112.88 131.56 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 61.37 40.99 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.52 -61.97 1.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.19 34.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -40.23 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD11 ' CG2' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -134.29 123.63 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -107.06 138.06 43.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 15' ' ' ILE . 32.9 m -136.8 158.86 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.43 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 59.7 t -64.3 142.3 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -41.67 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.7 163.66 9.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' HG22 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -120.53 149.07 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 3.0 mtt85 -151.83 154.58 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.19 144.55 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.3 m-85 -130.04 175.15 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -74.92 -44.01 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.69 167.11 31.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.569 ' CD2' HG22 ' A' ' 100' ' ' VAL . 2.6 m-85 -56.42 -36.88 69.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -56.54 -48.7 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.98 -29.96 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.54 ' SD ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 mtp -75.66 -49.58 17.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.3 mm-40 -72.3 -44.41 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -84.77 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -60.36 -55.06 38.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.48 128.58 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD1' HG11 ' A' ' 76' ' ' VAL . 12.9 tp -59.25 -59.37 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.69 -8.64 29.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.451 ' HA ' ' CD ' ' A' ' 21' ' ' LYS . 8.2 m-80 -94.92 6.88 47.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.46 ' HB ' ' CD1' ' A' ' 64' ' ' LEU . 87.3 t -138.37 -53.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.434 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -115.68 87.48 17.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.84 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.24 -33.17 3.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG11 ' CD1' ' A' ' 69' ' ' LEU . 2.9 p -38.47 155.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -85.22 -34.41 22.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.418 ' C ' HD21 ' A' ' 69' ' ' LEU . 10.3 t -172.7 170.14 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.421 ' N ' HD21 ' A' ' 69' ' ' LEU . 5.6 mt -57.06 -35.65 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -47.98 74.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.73 -37.58 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.73 -43.82 60.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.522 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.2 mt -63.95 -37.74 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -62.11 -37.35 84.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.33 -49.26 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 3.8 m-30 -60.81 -22.15 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -47.72 45.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -75.2 -20.97 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 1.3 m-85 -91.42 -55.59 3.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -115.17 148.03 39.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.18 144.54 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.03 -32.72 61.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -51.57 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.14 81.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' GLY . 3.2 tm-20 -64.92 -53.07 52.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.23 -18.66 65.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -59.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -100.36 -55.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.55 -165.01 13.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.569 HG22 ' CD2' ' A' ' 60' ' ' PHE . 2.3 t -99.22 155.11 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.582 HG11 ' CD2' ' A' ' 27' ' ' TYR . 3.4 m -137.66 107.62 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.54 ' CB ' ' SD ' ' A' ' 63' ' ' MET . . . -81.41 98.09 8.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 54' ' ' ILE . 30.8 pt -96.99 134.64 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 8.3 tt0 -90.53 120.29 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -125.01 163.65 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.46 107.62 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.434 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.17 83.48 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -119.7 -7.42 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.486 0.184 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.52 110.39 4.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 41' ' ' SER . 97.6 m95 -87.4 132.64 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.45 131.65 46.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 mmt -124.1 -159.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.33 58.13 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.581 ' CD2' ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -75.82 176.28 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.99 157.17 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -50.18 74.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.96 -32.87 61.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.498 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -75.59 -28.16 58.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.9 mt -64.17 -46.76 82.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -31.61 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.57 -45.35 94.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 2.2 mp -57.81 -35.56 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -66.02 -35.16 79.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -20.12 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' CZ ' ' OE1' ' A' ' 23' ' ' GLU . 12.7 mtt180 -76.87 -0.56 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -74.46 -9.25 58.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -118.86 -7.73 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 22' ' ' ILE . 66.1 mttt -115.69 -116.24 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -166.34 171.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 19.1 tp10 -145.35 103.01 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' CA ' ' HA ' ' A' ' 102' ' ' ALA . . . -115.11 175.48 16.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.74 -178.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 130.71 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 5.6 t80 -71.06 75.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.96 -176.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 22.5 mm-40 -69.01 -46.6 67.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.67 87.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -58.0 -49.95 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 6.1 ptm180 -65.34 -20.33 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -32.35 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.6 143.47 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.85 159.62 69.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.95 47.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.59 -171.96 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 40' ' ' ILE . 73.3 t -136.63 146.31 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.433 ' N ' HG11 ' A' ' 39' ' ' VAL . 4.1 mt -122.14 101.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' TRP . 9.3 p -76.45 147.6 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CG ' ' CD2' ' A' ' 7' ' ' LEU . 16.2 m-30 -122.22 142.41 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 47.96 40.84 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.89 -61.72 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.46 32.06 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -75.62 -40.33 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.282 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -136.99 115.42 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -99.43 132.73 44.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG1' HG21 ' A' ' 15' ' ' ILE . 32.6 m -133.99 154.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -134.58 120.83 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.66 140.57 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -41.92 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.37 166.22 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -120.19 149.67 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -150.9 149.47 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.423 ' CG2' HG11 ' A' ' 101' ' ' VAL . 1.8 t -125.09 145.97 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 40.3 m-85 -132.6 179.35 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.68 -45.5 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 178.99 9.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' CZ ' HG11 ' A' ' 100' ' ' VAL . 4.8 m-85 -69.4 -43.45 73.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -55.3 -32.99 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -31.75 63.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.532 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 1.1 mtp -75.47 -50.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.471 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -65.74 -26.78 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.0 mm-40 -75.54 -39.9 57.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.6 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.59 -53.19 58.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' A' ' 71' ' ' ASN . . . 130.94 121.95 2.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 76' ' ' VAL . 25.7 tp -48.87 -58.86 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.28 -14.45 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.449 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 72.6 m-20 -91.36 22.49 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 64' ' ' LEU . 72.2 t -152.46 -56.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -113.85 92.78 26.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 121.34 -26.0 6.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.468 HG12 ' CD2' ' A' ' 69' ' ' LEU . 4.9 p -39.82 150.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -85.18 -36.1 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.3 m -170.37 165.76 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.1 mt -53.05 -36.62 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -49.27 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.68 -40.21 91.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 86' ' ' TYR . . . -52.83 -39.77 56.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.585 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.5 mt -66.93 -33.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -66.53 -36.35 82.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.54 -41.76 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 1.9 m-30 -69.81 -29.41 66.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.01 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -85.04 -55.06 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -97.84 137.67 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 141.37 58.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -66.23 -42.47 88.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -55.03 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.08 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.6 OUTLIER -64.14 -53.14 54.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.34 -15.67 62.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.27 -51.84 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.98 -135.45 10.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.553 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 2.0 t -133.25 153.78 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.549 HG13 ' CG ' ' A' ' 27' ' ' TYR . 5.4 m -137.3 110.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.456 ' HA ' ' CA ' ' A' ' 24' ' ' GLY . . . -82.24 97.7 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.488 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.6 mp -89.78 135.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.509 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 16.7 tt0 -91.83 113.67 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.47 ' CD1' ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -119.4 167.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.59 113.24 1.51 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.454 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.4 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 82.08 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 110' ' ' TYR . 1.4 tp10 -130.14 -101.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' CG ' ' A' ' 109' ' ' GLU . 30.4 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.526 0.203 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.51 117.13 6.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 1' ' ' MET . 41.2 m95 -94.45 154.88 17.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.03 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.48 123.57 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 2.1 mmt -129.63 -175.29 3.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.71 142.32 9.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.552 HD22 ' CD1' ' A' ' 42' ' ' PHE . 1.8 pt? -168.43 149.73 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -40.64 139.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 -31.75 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.39 -36.13 77.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.07 -38.42 66.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 ' CA ' HD23 ' A' ' 47' ' ' LEU . 6.1 mp -55.2 -41.33 71.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -31.41 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.8 mt -67.87 -44.66 76.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 1.6 mp -56.18 -45.42 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -31.28 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 2.0 mt -85.67 -19.77 30.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 6.8 mtt85 -73.93 0.56 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.68 -29.83 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 0.29 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HB3' ' C ' ' A' ' 71' ' ' ASN . 6.8 mptt -118.77 -114.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -166.95 175.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.51 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 38.0 tt0 -144.55 99.42 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -86.06 -178.17 49.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mmm-85 158.91 121.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.04 133.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 32' ' ' ARG . 7.0 t80 -61.78 101.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.19 -168.1 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.3 mt-10 -75.87 -41.83 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -41.93 86.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.79 -51.76 67.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 27' ' ' TYR . 15.5 ptp180 -63.86 -21.32 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -37.0 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.5 mt -75.08 160.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.14 164.11 24.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.0 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.57 -35.6 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.25 -179.47 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 40' ' ' ILE . 21.7 t -138.95 151.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' LYS . 1.5 mt -120.08 152.12 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 3' ' ' TRP . 5.0 m -124.75 125.29 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.552 ' CD1' HD22 ' A' ' 7' ' ' LEU . 47.7 m-85 -98.13 151.85 19.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 39.14 40.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.87 -63.21 2.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -168.03 29.08 0.16 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -75.58 -31.48 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' CA ' ' A' ' 12' ' ' LEU . 44.0 tp -151.79 132.37 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' HE3' ' CA ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -126.8 150.02 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 17.8 m -140.13 160.0 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.429 ' NH1' HD23 ' A' ' 108' ' ' LEU . 8.9 ttm105 -128.57 116.58 19.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 79.4 t -54.61 133.49 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -44.22 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.02 157.53 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.425 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.75 149.36 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' O ' ' HB ' ' A' ' 101' ' ' VAL . 10.8 mmm180 -142.7 155.5 44.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.88 140.76 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 63' ' ' MET . 24.9 m-85 -132.22 178.29 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -45.44 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -154.01 166.27 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.673 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 0.5 OUTLIER -57.92 -36.68 72.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.15 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.44 -42.9 91.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.566 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 1.4 mtp -61.86 -49.76 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.5 -29.3 69.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.69 -43.11 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.09 -52.15 66.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.19 123.74 2.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.482 ' CD2' HG13 ' A' ' 76' ' ' VAL . 11.7 tp -56.59 -58.69 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.36 -18.82 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.414 ' C ' ' HB3' ' A' ' 21' ' ' LYS . 74.0 m-20 -89.8 12.37 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.503 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 55.0 t -137.3 -58.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.573 HD12 ' CE1' ' A' ' 86' ' ' TYR . 0.4 OUTLIER -112.42 97.36 39.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.18 4.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.54 -23.12 12.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.482 HG13 ' CD2' ' A' ' 69' ' ' LEU . 14.9 p -40.32 148.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -85.45 -37.11 20.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -167.36 165.56 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.9 mt -54.98 -39.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -45.27 85.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -38.96 93.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.91 -50.39 61.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.54 -40.68 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -57.62 -37.56 73.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.29 -49.48 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.673 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 17.3 m-85 -64.81 -30.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.46 -34.73 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -64.01 -48.02 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -79.42 -52.27 8.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -92.21 143.03 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.68 147.6 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -34.63 64.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -54.72 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -41.78 89.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.9 tm-20 -61.98 -52.56 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -65.07 -13.41 57.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -74.28 -59.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.26 -53.36 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.02 -133.31 8.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.573 HG22 ' CD2' ' A' ' 60' ' ' PHE . 2.8 t -133.04 151.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.481 HG23 ' CA ' ' A' ' 27' ' ' TYR . 12.7 m -137.27 108.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' N ' ' SD ' ' A' ' 63' ' ' MET . . . -74.15 98.24 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.425 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.9 mt -86.15 126.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 29.3 tt0 -93.17 106.62 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.01 173.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.88 101.32 2.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.483 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.97 104.31 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.429 HD23 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -87.98 87.86 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -146.67 -104.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.456 0.17 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.71 146.39 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -101.7 144.6 30.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.1 140.06 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 mtt -140.02 -172.58 3.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.45 62.57 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -75.97 -175.67 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.3 38.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -62.3 -49.8 74.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 -32.48 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -75.19 -32.53 61.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' ' 42' ' ' PHE . 24.3 mt -60.94 -45.77 93.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.87 -34.06 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.0 mt -59.53 -44.99 93.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 49' ' ' VAL . 2.6 mp -56.64 -37.03 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -64.13 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -21.89 29.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 mtt180 -78.45 1.61 21.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -72.46 -11.74 60.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.77 7.28 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -126.15 -115.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.532 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -168.19 178.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 11.9 pt-20 -144.47 133.0 22.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 155.59 21.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 17.5 tpt180 175.88 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -38.56 141.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.572 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 1.8 t80 -70.79 86.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.89 -174.65 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -65.1 -44.31 89.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 7.1 mmt180 -56.82 -44.83 82.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 9.0 mtp-105 -51.7 -35.82 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -26.85 60.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.9 mt -73.07 146.67 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -147.14 163.41 28.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.38 -34.44 0.38 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.49 -173.31 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG11 ' N ' ' A' ' 40' ' ' ILE . 66.3 t -136.03 155.91 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.409 ' N ' HG11 ' A' ' 39' ' ' VAL . 3.7 mt -125.45 112.63 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -92.03 119.57 31.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.579 ' CD1' HD21 ' A' ' 7' ' ' LEU . 13.4 m-85 -101.35 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 49.1 mt-10 45.51 32.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.69 -62.34 1.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 48' ' ' LYS . . . -166.55 26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -76.6 -36.47 57.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -144.43 113.07 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' CE ' ' HA2' ' A' ' 45' ' ' GLY . 8.7 mmtp -107.88 135.74 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 18.1 m -135.61 151.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -127.62 121.48 30.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 66.2 t -54.66 138.71 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 -42.06 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' CD1' HG12 ' A' ' 103' ' ' ILE . 2.0 tt -118.15 149.9 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 6.0 mtm180 -142.97 164.33 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.78 139.75 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 53.1 m-85 -132.29 178.73 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.02 -45.69 33.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.8 178.5 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 84.0 m-85 -61.29 -37.63 83.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -55.71 -56.97 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.97 -32.13 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.548 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 11.3 mtp -75.26 -43.12 53.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -73.16 -32.89 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -76.31 -45.4 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -80.63 -64.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -60.89 -51.44 69.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.62 126.14 2.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 18.6 tp -56.92 -60.25 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.82 -16.62 64.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ILE . 3.4 m-20 -89.41 11.28 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.488 ' CG2' ' CG2' ' A' ' 22' ' ' ILE . 83.2 t -137.33 -58.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -111.05 98.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.53 -25.04 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG1' ' HG ' ' A' ' 69' ' ' LEU . 13.8 p -38.81 146.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -38.98 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -162.15 165.85 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.5 mt -55.5 -44.41 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.51 79.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.84 73.13 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.409 1.068 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.73 -35.9 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -60.21 -35.97 76.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 t -65.15 -42.39 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 19.4 m-85 -72.96 -25.2 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 92' ' ' GLU . 1.3 tpp85 -74.55 -38.83 62.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -65.24 -44.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -80.14 -55.16 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -96.02 142.06 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.02 151.03 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 4.0 pt-20 -75.51 -25.56 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -55.63 6.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -44.79 86.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 8.1 tm-20 -62.35 -49.6 74.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 19.7 mmtt -57.34 -17.12 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -101.52 -55.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 123.83 -141.6 13.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.576 HG11 ' CE1' ' A' ' 60' ' ' PHE . 1.8 t -123.92 124.51 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.532 HG13 ' CG ' ' A' ' 27' ' ' TYR . 10.6 m -106.19 107.05 21.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.06 97.84 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.431 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.5 mt -93.51 123.16 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.34 108.44 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.8 158.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 21.5 mm-40 -145.45 112.86 4.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.94 119.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -101.08 28.82 5.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 110' ' ' TYR . 7.8 tp10 -69.4 -96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.443 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 14.6 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.501 0.191 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.82 146.33 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -94.67 145.21 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.49 128.61 29.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.451 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 4.4 mtt -131.11 -174.78 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.42 148.03 18.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.664 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -168.13 -178.86 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -73.69 155.26 39.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.79 -49.17 78.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.04 -33.41 62.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.27 -29.37 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' CD1' ' HD2' ' A' ' 46' ' ' LYS . 16.5 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.41 -30.81 70.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -59.12 -37.57 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.3 mp -60.98 -44.68 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -67.24 -28.45 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.9 -48.02 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.66 3.97 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -69.05 -30.67 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -84.9 5.59 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 66.3 mmtt -126.23 -103.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.535 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -163.82 179.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.535 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 8.7 tt0 -143.54 112.33 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' CA ' ' HE3' ' A' ' 63' ' ' MET . . . -80.7 165.99 48.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER 170.27 110.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -38.78 135.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.568 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 2.1 t80 -71.23 86.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.1 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -72.88 -47.93 41.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -41.3 87.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -58.03 -52.2 66.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.568 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 13.2 ptm180 -64.97 -23.86 67.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.06 65.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.4 mt -75.19 147.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 163.05 53.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.437 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.77 51.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.02 -170.71 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 40' ' ' ILE . 33.8 t -139.33 147.22 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.419 ' N ' HG11 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -122.65 106.75 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 100.0 p -82.76 123.27 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 21.2 m-85 -97.21 149.57 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 40.91 42.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.99 -62.6 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -173.26 29.9 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -76.63 -40.36 49.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.53 116.01 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' HE3' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -108.03 137.74 45.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.98 144.9 30.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -121.59 122.23 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.437 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 54.6 t -57.45 145.24 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.08 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -42.63 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.59 159.62 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.569 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -111.57 148.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 5.8 mmt180 -148.42 113.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -95.31 146.55 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 34.3 m-85 -129.82 -177.57 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -46.43 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -156.86 167.36 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -59.63 -38.27 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.9 ttm180 -56.46 -37.04 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.69 -37.8 67.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.551 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 2.8 mtp -64.98 -49.72 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.474 ' CD2' ' HB ' ' A' ' 72' ' ' VAL . 40.6 mt -65.93 -29.7 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.3 mm-40 -75.9 -43.74 43.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' MET . 5.8 mm-40 -60.11 -53.18 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.48 125.07 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' CG2' ' A' ' 76' ' ' VAL . 15.2 tp -53.36 -60.83 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.27 -9.33 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 1.5 m-20 -95.07 3.04 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' HB ' ' CD2' ' A' ' 64' ' ' LEU . 47.0 t -134.93 -46.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.498 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.81 92.44 48.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.82 8.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 109.3 -26.98 13.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.498 ' HB ' ' CD2' ' A' ' 73' ' ' LEU . 11.3 p -39.51 152.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -85.55 -37.44 19.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.0 t -168.79 171.47 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.011 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.1 mt -58.3 -38.91 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -46.79 78.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.51 -40.71 97.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.41 ' CA ' HG23 ' A' ' 76' ' ' VAL . . . -52.76 -46.28 60.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.427 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -58.65 -39.84 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.11 -38.15 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.72 -45.03 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.786 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 11.5 m-30 -65.32 -32.9 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.32 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -53.28 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -76.33 -49.69 16.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.445 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -101.65 143.74 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 142.21 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -30.94 67.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.39 -52.88 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -38.84 87.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.4 OUTLIER -64.97 -53.24 49.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -65.51 -15.26 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -74.54 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.34 -55.01 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.31 -154.13 19.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.569 HG12 ' CE2' ' A' ' 60' ' ' PHE . 1.6 t -120.83 151.35 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' ARG . 4.9 p -137.65 116.53 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.36 98.64 11.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.569 ' CG2' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -89.44 133.1 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.467 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -89.5 107.94 19.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.423 ' H ' ' CD1' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -103.71 158.08 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 50' ' ' ARG . 2.8 pt-20 -137.86 101.05 8.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.494 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.04 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.32 62.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -105.91 -19.87 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.477 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -137.12 155.12 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -149.23 139.03 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.37 169.1 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.9 mtm -174.08 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.46 140.29 18.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' CD1' ' HG ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -165.11 -178.97 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.34 155.81 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG3' ' CE ' ' A' ' 46' ' ' LYS . 12.8 tt0 -62.44 -40.27 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 -36.86 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.68 -30.3 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' CD2' ' CB ' ' A' ' 47' ' ' LEU . 54.3 mt -68.1 -48.56 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.25 -29.29 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.36 -43.86 84.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG23 ' CG1' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -56.65 -38.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -65.59 -31.7 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 -19.61 38.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.465 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 9.0 mtt180 -80.68 0.4 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -73.1 -22.61 60.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -3.85 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -113.7 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -168.04 175.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.515 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 4.5 tt0 -142.36 108.22 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -77.42 179.49 50.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.3 OUTLIER 158.48 135.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 142.36 52.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.43 ' N ' HG12 ' A' ' 101' ' ' VAL . 13.8 t80 -75.48 68.56 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.46 -166.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.6 mt-10 -76.23 -44.12 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -67.13 -41.13 86.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -51.65 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 12.9 ptm180 -63.71 -28.16 69.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -29.49 60.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 51' ' ' VAL . 83.8 mt -72.18 123.66 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 161.64 22.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 86.86 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.56 -30.91 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.45 -171.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.0 t -139.92 146.18 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 mt -120.5 102.29 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.19 147.69 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.453 ' CB ' HD21 ' A' ' 12' ' ' LEU . 19.7 m-85 -128.19 133.9 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 56.07 38.22 29.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -63.06 2.38 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.34 28.59 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' CE ' ' HG3' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -76.12 -37.3 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.493 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -139.39 112.25 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -105.59 131.95 52.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 15' ' ' ILE . 17.1 m -133.79 151.21 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -129.05 116.49 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 34' ' ' ILE . 95.4 t -46.12 123.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -47.93 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.84 148.66 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.362 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.73 141.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 6.6 mmt85 -143.77 144.57 31.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.35 145.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 48.3 m-85 -133.16 -178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -46.16 31.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -160.13 176.76 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CE1' HG13 ' A' ' 100' ' ' VAL . 65.6 m-85 -61.52 -39.26 90.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.8 tpp85 -56.13 -48.83 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.47 -33.13 74.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.542 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 8.9 mtp -72.08 -50.2 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 21.6 mt -70.5 -27.11 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' OE2' ' CD1' ' A' ' 79' ' ' ILE . 15.5 mm-40 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -54.87 -47.27 74.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.99 128.3 3.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD2' HG13 ' A' ' 76' ' ' VAL . 16.1 tp -61.45 -59.92 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.59 -11.06 57.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 71' ' ' ASN . 1.9 m-80 -94.36 8.68 41.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.484 ' CG2' HG22 ' A' ' 22' ' ' ILE . 92.7 t -136.18 -54.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.481 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -118.55 93.21 45.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 116.28 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.05 -25.51 8.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG13 ' CD2' ' A' ' 69' ' ' LEU . 5.8 p -39.5 153.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.55 -34.3 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m -171.43 166.57 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CD1' ' OE2' ' A' ' 65' ' ' GLU . 20.1 mt -53.44 -43.34 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -43.77 98.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -38.34 90.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.51 -48.85 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mp -58.57 -40.54 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.09 -38.18 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.78 -50.58 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 60' ' ' PHE . 19.5 m-85 -66.06 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -73.53 -30.88 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.88 -53.41 56.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -79.22 -49.49 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.58 142.48 27.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.51 145.09 54.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.79 -27.67 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.92 -54.46 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.37 77.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 2.0 tm-20 -64.5 -49.43 71.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -63.8 -14.38 52.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -75.23 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -97.36 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.29 -155.63 20.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.573 HG13 ' CE1' ' A' ' 60' ' ' PHE . 2.8 t -112.68 155.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 55' ' ' ARG . 3.3 p -135.86 108.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.93 98.08 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.404 HG12 ' CG1' ' A' ' 54' ' ' ILE . 2.9 mp -95.29 113.0 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.54 106.88 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 105' ' ' ILE . 2.0 pp -97.56 147.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.49 108.49 3.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 18.4 Cg_endo -75.01 120.69 6.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.13 76.37 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.27 -142.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.545 0.212 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -139.91 146.13 38.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -112.26 146.93 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 159.73 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.38 -175.59 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.3 140.43 7.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -171.39 146.76 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.23 144.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.91 -35.49 66.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.19 -33.27 75.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -26.34 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD23 ' CB ' ' A' ' 42' ' ' PHE . 18.4 mt -68.73 -51.09 45.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -25.64 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 mt -68.0 -36.57 80.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.526 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.7 mp -60.72 -41.3 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 3.5 ttmt -67.32 -50.86 58.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -46.67 87.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.526 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -78.29 4.57 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -68.96 -29.16 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.16 9.55 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.8 mttt -128.85 -107.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.592 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -161.5 173.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.592 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 9.2 tt0 -141.49 108.35 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -77.02 176.0 53.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER 161.24 100.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -36.46 123.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.501 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -55.87 158.51 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.09 -174.0 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.89 -49.25 68.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -47.21 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' NH1' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.52 -37.79 87.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.59 -36.22 66.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.4 HD12 ' NH1' ' A' ' 31' ' ' ARG . 77.1 mt -72.67 129.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 160.49 66.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.92 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.72 47.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.91 -170.48 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 40' ' ' ILE . 87.3 t -136.02 141.1 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.422 ' N ' HG11 ' A' ' 39' ' ' VAL . 11.6 mt -109.82 130.1 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.31 139.29 34.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 7' ' ' LEU . 24.6 m-85 -120.08 147.61 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' PHE . 23.4 mm-40 38.04 40.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 -62.66 1.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.8 30.36 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.17 -40.06 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -134.84 116.86 15.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -110.53 126.5 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 m -127.9 163.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -135.11 118.87 17.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.89 141.21 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.72 -42.7 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.3 163.65 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -118.28 144.74 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' O ' ' HB ' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -141.91 155.61 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.8 t -135.07 139.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 29.2 m-85 -129.7 -179.35 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.69 -45.72 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -159.28 167.12 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.785 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -56.99 -34.83 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.4 tmm_? -56.93 -38.61 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.0 -36.08 66.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.543 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 4.5 mtp -70.75 -48.58 53.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.63 -30.72 70.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 11.1 mm-40 -76.28 -50.15 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.12 -65.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -56.88 -50.71 71.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.67 129.82 3.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.491 ' CD2' HG13 ' A' ' 76' ' ' VAL . 17.0 tp -63.85 -59.85 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.806 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.54 -13.95 62.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.717 ' N ' HD21 ' A' ' 71' ' ' ASN . 0.9 OUTLIER -93.46 11.9 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.438 HG23 ' C ' ' A' ' 71' ' ' ASN . 86.0 t -137.94 -49.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.04 93.73 43.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.95 -34.86 3.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG13 ' CD2' ' A' ' 69' ' ' LEU . 9.9 p -38.56 148.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -83.37 -38.7 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -161.86 167.23 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.8 mt -55.81 -35.08 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -49.25 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.74 -37.54 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.465 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -52.9 -46.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.559 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 6.6 mt -62.07 -38.57 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -60.43 -36.34 77.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.785 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 8.8 m-30 -68.2 -20.91 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -43.43 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.93 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -111.46 156.04 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.54 143.92 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.43 -32.8 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.06 -54.67 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 26' ' ' LEU . 1.9 tm-20 -63.16 -53.17 57.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -13.92 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.2 -58.94 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -99.99 -54.51 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.23 -164.78 18.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.52 HG22 ' CG ' ' A' ' 60' ' ' PHE . 3.6 t -100.39 151.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 103' ' ' ILE . 17.2 m -137.02 106.78 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.09 98.84 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.477 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.1 mp -94.16 139.08 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.7 tt0 -95.09 116.23 28.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.409 ' H ' ' CD1' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -111.58 158.21 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.14 102.25 7.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.51 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -74.98 98.65 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mp -59.0 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -160.85 -145.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.404 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.563 0.22 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.47 133.73 53.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.41 ' CE2' HG12 ' A' ' 34' ' ' ILE . 19.5 m95 -110.65 158.87 18.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.51 153.09 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.444 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.8 mtm -159.34 158.78 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.61 55.45 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.723 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 2.2 pt? -75.48 171.09 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' O ' ' CD1' ' A' ' 12' ' ' LEU . 13.0 mt-30 -58.32 149.73 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -65.52 -41.54 93.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.26 -36.02 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.481 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 1.7 m-85 -71.16 -41.17 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' CD1' ' HG ' ' A' ' 7' ' ' LEU . 10.7 mp -50.6 -39.77 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -24.55 62.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 13.2 mt -74.76 -42.35 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -56.41 -35.87 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -65.06 -28.82 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 0.5 OUTLIER -85.29 -24.46 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 1.6 mtt180 -76.79 1.37 17.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -71.23 -11.92 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -3.31 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -117.33 -112.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -167.21 -167.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.51 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 17.5 tt0 -148.92 127.23 12.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.38 143.24 16.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . 4.7 tpp180 177.59 105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.12 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 32' ' ' ARG . 1.5 t80 -75.36 93.05 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.07 178.74 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.31 -41.23 96.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -47.39 76.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -56.97 -39.63 74.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 27' ' ' TYR . 3.7 ttt180 -54.36 -46.28 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -21.62 59.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 HG12 ' CE2' ' A' ' 3' ' ' TRP . 28.4 mt -70.68 149.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 161.19 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.43 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.79 -28.45 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 8.5 m-20 -75.08 -178.2 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.6 t -138.86 151.56 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mp -124.96 127.84 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.6 OUTLIER -93.24 123.93 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 40.7 m-85 -107.13 139.66 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 47.51 43.18 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.31 -63.98 2.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.03 28.24 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -76.89 -36.95 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -139.68 126.37 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -125.67 130.61 51.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.3 m -130.18 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -123.25 118.07 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 85.2 t -44.71 118.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -50.05 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.35 152.96 17.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -109.14 143.55 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 1.1 mmm180 -140.38 153.4 46.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG2' HG11 ' A' ' 101' ' ' VAL . 16.6 t -126.77 140.75 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 32.8 m-85 -132.98 173.22 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -75.19 -43.24 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 176.35 12.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CE1' HG11 ' A' ' 100' ' ' VAL . 2.6 m-85 -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.5 tpp85 -56.49 -45.62 80.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.63 -31.06 71.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.543 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 2.5 mtp -75.42 -49.23 19.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' ' HA2' ' A' ' 68' ' ' GLY . 8.1 mt -72.1 -30.22 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.1 mm-40 -75.32 -44.61 44.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -83.39 -64.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.8 OUTLIER -60.64 -53.32 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' HA3' ' HB2' ' A' ' 71' ' ' ASN . . . 127.71 128.14 3.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' CD2' HG13 ' A' ' 76' ' ' VAL . 12.0 tp -58.36 -59.3 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -66.4 -9.83 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.491 ' C ' HG23 ' A' ' 72' ' ' VAL . 3.3 m-20 -95.68 10.05 38.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.491 HG23 ' C ' ' A' ' 71' ' ' ASN . 48.5 t -137.42 -50.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -119.83 97.74 49.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 112.49 -17.17 23.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 69' ' ' LEU . 5.3 p -39.33 152.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.69 -32.75 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -175.96 168.29 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.5 mt -56.22 -44.29 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -42.44 92.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.16 -38.1 85.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.21 -47.88 71.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.49 -42.87 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.95 -38.82 68.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.01 -54.62 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 4.9 m-30 -60.86 -22.99 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -48.72 23.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -71.03 -23.15 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.1 m-85 -88.74 -55.26 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -103.58 154.18 19.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 144.85 48.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.56 -44.4 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.58 74.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.69 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -64.5 -53.6 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -21.44 66.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -59.75 3.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -99.35 -55.46 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.88 -122.26 3.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.566 HG11 ' CE1' ' A' ' 60' ' ' PHE . 3.1 t -140.28 144.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 56' ' ' VAL . 4.8 m -135.36 107.15 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB1' ' CE ' ' A' ' 63' ' ' MET . . . -76.23 97.5 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.8 mp -88.94 123.8 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -76.89 106.29 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.496 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 2.1 pp -103.12 134.75 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.16 111.23 9.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.404 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.4 Cg_endo -74.91 116.34 4.56 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 69.18 8.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.6 -143.27 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmm . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.505 0.193 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.76 114.31 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -100.5 148.57 24.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -135.48 119.16 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.65 118.72 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.73 61.08 4.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.631 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -74.6 158.05 34.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.3 142.29 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.5 -48.51 65.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.77 -37.14 59.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.468 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -69.52 -40.87 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -50.34 -34.72 24.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.58 -30.89 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' C ' ' HD2' ' A' ' 18' ' ' ARG . 13.9 mt -61.45 -45.58 93.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 ' CG2' ' HG3' ' A' ' 107' ' ' PRO . 4.8 mp -56.05 -37.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -32.72 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.27 -25.69 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 72' ' ' VAL . 9.5 mtt-85 -76.49 1.38 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.4 -12.03 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -2.3 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 20.8 mttt -115.05 -114.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.172 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.524 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -167.3 174.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.524 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 6.1 tp10 -154.45 99.38 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.49 172.17 16.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 177.08 145.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' CD2' ' HD3' ' A' ' 94' ' ' LYS . 2.7 tp -40.21 117.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 3.6 t80 -63.77 90.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.45 -165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.96 -44.75 60.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.1 -42.39 98.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -62.74 -34.27 76.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 11.6 ttt180 -57.08 -43.27 81.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -27.8 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.3 mt -70.35 135.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -146.41 163.24 30.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.82 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.81 -34.22 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.22 -178.74 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -137.08 146.34 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 49' ' ' VAL . 1.0 OUTLIER -119.47 124.34 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.53 103.07 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 19.8 m-85 -81.2 135.47 35.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 36.3 mt-10 55.76 41.26 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.3 -60.19 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.69 29.52 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.95 -40.35 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -140.57 112.66 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -98.89 139.27 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -141.5 148.26 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -127.86 114.01 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 65.6 t -44.61 141.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 -41.39 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.88 158.04 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 103' ' ' ILE . 7.4 tt -118.04 149.74 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -142.35 161.38 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 t -133.43 143.4 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 36.2 m-85 -133.16 178.61 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -45.39 38.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 170.59 21.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 2.3 m-85 -60.82 -37.29 81.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -44.57 82.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.02 -40.53 95.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.532 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 1.7 mtp -62.86 -50.1 72.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -66.66 -31.42 72.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.26 -37.44 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -65.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 mm-40 -63.28 -54.37 38.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.97 122.47 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 ' CG2' ' A' ' 76' ' ' VAL . 8.8 tp -52.52 -59.78 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.96 -17.51 64.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 68.7 m-20 -95.28 14.61 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.471 ' O ' ' NH1' ' A' ' 18' ' ' ARG . 45.3 t -139.76 -46.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -129.32 96.24 28.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.72 8.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 113.97 -32.22 6.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.494 ' CG2' HD13 ' A' ' 69' ' ' LEU . 11.2 p -39.79 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -85.74 -34.78 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.9 m -169.0 166.64 11.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 69.5 mt -52.82 -39.39 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.22 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -38.21 86.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.471 ' CA ' HG23 ' A' ' 76' ' ' VAL . . . -57.77 -50.39 65.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.0 mt -54.94 -39.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.69 -38.34 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -65.18 -40.03 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 10.2 m-85 -74.91 -24.83 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.7 -45.64 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 16.3 ptp180 -66.88 -36.82 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.8 m-85 -77.85 -53.25 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -108.87 146.53 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.31 147.38 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.65 -37.59 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -50.23 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.28 -41.22 75.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.8 OUTLIER -65.17 -52.85 52.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -65.34 -15.81 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -59.28 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.52 -54.2 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.01 -147.71 17.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.56 HG12 ' CD1' ' A' ' 60' ' ' PHE . 2.2 t -124.38 153.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.485 ' CG1' ' HB2' ' A' ' 27' ' ' TYR . 10.9 m -137.29 107.04 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.513 ' CB ' ' SD ' ' A' ' 63' ' ' MET . . . -79.01 97.5 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.415 ' CG1' HG13 ' A' ' 54' ' ' ILE . 2.2 mp -88.69 135.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.4 tt0 -94.45 111.59 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.403 ' H ' ' CD1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -106.27 174.34 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -162.18 100.21 1.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.471 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.98 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.35 78.26 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -133.58 -141.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.451 0.167 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 102.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.491 ' CD1' ' O ' ' A' ' 1' ' ' MET . 16.2 m95 -87.29 154.62 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.54 127.68 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.46 179.1 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.27 49.86 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 1.7 pp -75.38 179.57 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 153.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -67.98 -42.76 80.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.7 -33.7 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.486 ' CB ' HD12 ' A' ' 7' ' ' LEU . 2.8 m-85 -74.83 -28.83 60.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 42' ' ' PHE . 93.5 mt -63.65 -51.64 64.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -54.67 -24.81 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.46 -42.29 53.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 1.1 mp -56.47 -39.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.82 -29.48 70.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.49 -25.96 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 2.5 mtt180 -75.06 -1.18 21.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.92 -6.32 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -102.89 -25.89 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -125.42 -116.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.575 ' CD1' ' O ' ' A' ' 21' ' ' LYS . 1.4 mm -145.67 -149.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' H ' ' CG2' ' A' ' 22' ' ' ILE . 3.3 pt-20 -152.15 -173.47 4.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -125.76 155.91 19.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 160.27 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 151.52 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.47 ' CA ' HG12 ' A' ' 101' ' ' VAL . 2.9 t80 -75.53 90.95 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.88 -165.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -76.62 -52.97 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -38.02 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' NH2' HG12 ' A' ' 103' ' ' ILE . 4.9 mmm180 -65.65 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -33.75 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.77 -36.12 83.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CG2' HG21 ' A' ' 51' ' ' VAL . 45.5 mt -74.26 148.49 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -147.15 175.42 2.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.06 83.78 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.27 53.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.18 176.2 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 40' ' ' ILE . 87.3 t -136.13 150.17 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.43 ' N ' HG11 ' A' ' 39' ' ' VAL . 2.9 mt -124.62 123.43 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -96.98 104.2 16.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.622 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 45.8 m-85 -79.54 144.1 34.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 45.55 49.14 11.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.17 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.89 29.26 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -39.58 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.428 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -140.11 119.0 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -105.87 145.5 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG23 ' CE2' ' A' ' 42' ' ' PHE . 28.3 m -146.98 155.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -133.41 126.99 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.464 HG21 ' CG2' ' A' ' 34' ' ' ILE . 18.8 t -59.65 133.22 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.79 -45.59 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.29 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 tt -102.88 149.12 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.499 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 13.1 mmt180 -147.44 126.07 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.4 t -109.32 143.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 35.2 m-85 -128.82 179.55 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.19 -45.6 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.06 173.39 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.677 ' CG ' ' CD2' ' A' ' 86' ' ' TYR . 1.9 m-85 -64.65 -39.91 94.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.63 -35.51 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -73.49 -36.44 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.528 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 3.1 mtp -66.81 -49.53 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 69' ' ' LEU . 27.0 mt -67.57 -29.89 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.5 mm-40 -75.74 -43.59 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.489 ' OE1' ' CB ' ' A' ' 102' ' ' ALA . 1.8 mt-10 -59.78 -53.1 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.04 120.82 2.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' CG ' HG11 ' A' ' 76' ' ' VAL . 13.0 tp -49.59 -60.61 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.42 -20.3 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.06 11.93 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 75.4 t -137.2 -51.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.58 95.5 48.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 115.24 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.49 -29.39 5.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.487 ' HB ' ' CD2' ' A' ' 73' ' ' LEU . 9.9 p -40.04 151.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -85.39 -39.06 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -167.08 166.11 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.7 mt -53.31 -38.33 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -49.87 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.93 -36.83 80.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.44 -47.3 69.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.536 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.2 mt -60.22 -38.29 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -61.23 -37.73 84.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.08 -40.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.677 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.3 m-30 -70.08 -31.24 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -33.23 62.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -45.28 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.76 -54.27 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -94.02 147.05 23.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.21 149.99 38.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -30.91 60.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -51.53 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -44.39 86.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER -62.99 -53.14 58.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -16.7 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -71.74 -59.29 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.77 -54.71 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.31 -167.32 21.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.568 HG12 ' CD1' ' A' ' 60' ' ' PHE . 2.2 t -104.97 151.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.734 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 55' ' ' ARG . 2.5 p -137.65 108.31 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' A' ' 67' ' ' GLU . . . -77.81 97.71 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.441 HG12 ' NH2' ' A' ' 31' ' ' ARG . 2.9 mt -84.03 133.5 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -89.59 106.27 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.451 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 1.0 OUTLIER -99.38 153.5 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.3 100.55 4.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.431 ' HG3' ' CG2' ' A' ' 15' ' ' ILE . 18.1 Cg_endo -75.04 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.87 73.47 8.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -120.39 6.48 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 157.88 45.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' SER . 53.1 m95 -121.2 152.92 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 163.85 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.1 mtm -159.57 -168.73 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.58 138.74 6.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.9 OUTLIER -165.86 168.43 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -64.95 160.04 21.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.73 -46.58 81.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 3.5 mt-10 -54.36 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.491 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -63.74 -41.08 98.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.1 pt-20 -70.64 -32.16 69.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -52.54 -45.52 66.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 3.5 mp -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -52.53 -34.51 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.41 -21.32 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 23' ' ' GLU . 10.3 mtt180 -74.27 0.34 14.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -71.6 -11.96 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 2.37 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 26.3 mttm -120.46 -115.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.581 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -168.14 173.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.581 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 59.4 tt0 -143.6 111.3 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.69 165.38 21.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 6.8 ttm180 176.09 120.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -37.86 127.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CA ' HG11 ' A' ' 101' ' ' VAL . 4.5 t80 -65.41 106.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -160.97 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.54 -40.22 50.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.99 -39.41 90.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 1.5 mmp_? -66.18 -30.57 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.75 -35.93 81.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -26.2 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' CZ ' ' A' ' 31' ' ' ARG . 76.5 mt -70.25 134.58 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -145.98 171.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.19 53.79 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.96 175.12 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.7 t -134.43 139.36 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.92 144.23 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' MET . 1.9 t -111.6 147.67 34.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 7' ' ' LEU . 22.9 m-85 -128.66 131.19 48.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.468 ' CG ' HD13 ' A' ' 12' ' ' LEU . 12.9 mm-40 58.57 36.86 25.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.406 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 93.16 -62.52 2.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.46 30.92 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -33.8 61.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.482 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 1.3 tm? -151.92 122.22 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' HG13 ' A' ' 49' ' ' VAL . 1.1 mmtp -109.56 143.94 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG1' HG22 ' A' ' 15' ' ' ILE . 11.8 m -131.79 158.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -128.3 119.46 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.28 137.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.8 -43.73 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.6 176.42 7.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.11 145.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 2.8 mtp180 -143.56 142.58 31.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.56 142.45 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 21.5 m-85 -131.12 -176.49 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.72 -45.03 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.6 t -155.28 169.14 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.524 ' CG ' HG23 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.73 -37.4 84.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.56 -36.27 69.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.99 -37.85 66.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.526 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 3.9 mtp -69.67 -46.97 64.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.96 -30.18 68.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.0 mm-40 -75.35 -43.33 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -64.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.53 -52.46 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.89 126.41 2.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' HG13 ' A' ' 76' ' ' VAL . 15.0 tp -58.29 -58.82 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.39 -13.24 60.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.722 ' N ' HD21 ' A' ' 71' ' ' ASN . 0.8 OUTLIER -95.33 11.61 32.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.6 t -140.27 -47.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -123.44 92.52 48.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.34 4.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 123.57 -32.28 4.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 69' ' ' LEU . 7.8 p -39.07 149.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -84.9 -37.3 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -165.8 167.51 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.3 mt -56.21 -38.48 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -46.26 83.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.54 -37.19 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.03 50.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.76 -41.18 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -38.09 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.69 -53.75 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.456 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 21.6 m-85 -61.17 -20.39 62.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -47.17 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -74.26 -26.19 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.556 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -87.24 -55.15 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.556 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -109.01 138.65 45.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 145.91 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -40.66 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -53.2 60.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 99' ' ' GLY . 8.8 tt0 -64.8 -53.15 51.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -59.05 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -101.02 -54.93 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.62 -141.32 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.524 HG23 ' CG ' ' A' ' 60' ' ' PHE . 2.7 t -121.95 152.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 55' ' ' ARG . 2.3 p -137.17 111.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.74 99.09 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.95 116.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.464 ' CG ' HD11 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -76.0 112.91 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -117.95 161.89 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.77 103.77 4.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 19' ' ' LYS . 18.4 Cg_endo -74.98 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.69 78.25 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 110' ' ' TYR . 1.2 tp10 -132.0 11.71 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.452 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 76.0 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 1.5 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.1 116.77 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 1' ' ' MET . 11.4 m95 -102.29 144.41 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.77 150.21 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.408 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 3.5 mtm -151.88 154.55 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.9 71.46 0.48 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.731 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -75.72 -113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -163.13 160.09 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.4 -54.89 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.02 -41.97 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.1 -26.58 59.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 47' ' ' LEU . 24.0 mt -65.68 -46.25 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -26.57 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -64.12 -43.11 96.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.6 mp -56.58 -45.62 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.46 -24.8 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -80.56 -49.01 11.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.494 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.11 3.35 10.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.4 OUTLIER -70.01 -29.68 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 9.05 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -131.23 -105.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -165.17 -179.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.543 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 1.4 pp20? -143.15 139.33 30.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 72' ' ' VAL . . . -96.41 150.71 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.8 tpt180 179.26 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD21 ' CE ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -37.22 143.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.573 ' CE2' ' HG2' ' A' ' 32' ' ' ARG . 1.3 t80 -71.19 70.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.03 -179.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.54 -44.39 96.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -65.6 -48.74 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' NE ' HD12 ' A' ' 34' ' ' ILE . 2.2 tpt180 -57.01 -31.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 3.6 mtp180 -64.33 -39.88 94.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -75.42 -23.39 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HD12 ' NE ' ' A' ' 31' ' ' ARG . 88.4 mt -63.64 148.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 163.76 26.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.94 -27.34 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 72.6 m-20 -71.18 -179.51 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.77 144.81 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mt -121.17 101.32 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -78.22 146.92 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.731 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 14.8 m-85 -129.19 136.65 50.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HG3' ' CD1' ' A' ' 12' ' ' LEU . 4.7 mm-40 52.35 43.76 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.69 -63.74 3.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.65 28.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -36.07 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CB ' HD23 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -141.61 112.38 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' C ' HG13 ' A' ' 49' ' ' VAL . 6.3 mmtp -109.76 135.32 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 6.4 m -136.73 146.44 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -127.48 125.86 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.1 t -52.75 145.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.24 -40.25 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -163.19 160.82 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -116.53 149.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 0.4 OUTLIER -142.07 160.33 40.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.02 139.47 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.538 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 24.0 m-85 -132.71 179.82 5.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -75.98 -46.28 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.76 168.64 25.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.726 ' CG ' ' CD2' ' A' ' 86' ' ' TYR . 2.4 m-85 -57.24 -37.74 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -55.68 -48.89 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -62.35 -30.16 70.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.538 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 12.9 mtp -75.81 -47.79 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' O ' ' CA ' ' A' ' 68' ' ' GLY . 53.4 mt -68.48 -35.33 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.28 -46.0 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 9.6 ttpp -78.77 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' MET . 1.4 tm-20 -60.72 -50.6 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 129.91 124.4 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' HG12 ' A' ' 76' ' ' VAL . 17.4 tp -55.73 -60.69 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.45 -14.34 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.476 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 4.6 m-20 -91.99 6.37 46.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 22' ' ' ILE . 90.1 t -134.93 -46.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 3.8 tp -125.24 92.54 47.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.21 -28.88 5.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.479 ' HB ' ' CD2' ' A' ' 73' ' ' LEU . 7.2 p -39.92 149.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -85.41 -35.86 21.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.5 m -167.81 165.71 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 1.3 mm -52.99 -40.78 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -43.72 93.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -38.84 92.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 76' ' ' VAL . . . -55.44 -50.68 58.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 6.4 mt -56.19 -38.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.55 -43.74 96.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.8 -36.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.726 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.7 m-30 -74.74 -26.46 59.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -39.77 59.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -61.1 -47.44 86.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.3 -54.24 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -99.78 149.15 23.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -71.84 150.78 43.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -34.55 61.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -51.48 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' CE ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.86 -41.86 71.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.5 tm-20 -64.93 -52.28 57.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -64.3 -14.44 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -56.03 5.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.77 -55.1 2.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.71 -141.37 12.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.517 HG22 ' CG ' ' A' ' 60' ' ' PHE . 2.3 t -131.39 155.28 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.514 HG13 ' CG ' ' A' ' 27' ' ' TYR . 3.0 m -136.92 106.78 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.49 98.01 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 54' ' ' ILE . 2.1 mt -95.06 122.74 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 44.2 tt0 -82.37 106.74 14.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.2 159.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.482 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 3.7 pt-20 -144.54 109.19 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.507 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.4 Cg_endo -74.98 119.61 5.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -101.51 58.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -117.69 -142.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.445 ' N ' ' OD2' ' A' ' 38' ' ' ASP . 4.4 ptt? . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.488 0.185 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.02 108.32 1.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 1' ' ' MET . 12.8 m95 -91.99 149.05 21.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.76 125.24 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 mtt -127.74 -170.2 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.47 150.56 22.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -174.73 161.09 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.59 138.85 17.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.82 -36.49 58.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.72 -34.39 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -38.82 65.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 46' ' ' LYS . 5.0 mp -53.91 -42.73 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -34.29 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.9 mt -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 mp -63.19 -47.79 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HE2' ' CD2' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -66.71 -22.37 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.37 -47.56 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -77.22 3.27 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.2 pttm -70.1 -30.21 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.84 8.51 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 7.8 mttp -132.44 -104.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.541 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -162.99 179.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.541 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 38.9 tt0 -143.58 112.05 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.68 152.27 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 179.38 108.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 HD22 ' CD ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -36.94 132.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.406 ' HB2' ' CG1' ' A' ' 101' ' ' VAL . 0.7 OUTLIER -65.86 163.76 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -168.43 -177.32 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.89 -50.35 73.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -57.88 -47.15 83.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -41.25 60.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.68 -25.78 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.1 mt -74.74 125.54 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 166.73 24.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.84 49.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -164.15 -170.78 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -139.01 145.4 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.461 HD11 ' CG2' ' A' ' 51' ' ' VAL . 4.8 mt -123.84 115.22 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 57.9 p -87.53 135.45 33.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 7' ' ' LEU . 8.4 m-85 -112.15 120.01 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 16.4 mm-40 68.49 44.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.12 -63.91 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.79 28.87 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 4.2 tmtm? -76.61 -39.78 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.09 112.57 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 5.6 mmtp -105.01 131.01 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -129.12 157.32 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -130.6 116.08 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.461 ' CG2' HD11 ' A' ' 40' ' ' ILE . 90.1 t -48.58 134.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -44.36 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.81 172.31 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.491 ' CD1' HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -126.07 149.89 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -150.63 154.02 36.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 ' CG2' HG11 ' A' ' 101' ' ' VAL . 45.0 t -130.8 145.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.541 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 26.4 m-85 -133.08 -178.26 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -46.29 29.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 167.87 29.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.795 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -61.66 -36.75 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -36.82 73.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -71.46 -32.46 68.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 67' ' ' GLU . 2.3 mtp -74.97 -50.22 17.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 69' ' ' LEU . 1.2 mt -60.47 -31.59 70.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.26 -47.4 20.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.88 -67.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 63' ' ' MET . 65.6 mm-40 -58.27 -42.66 86.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 116.97 122.65 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD2' HG11 ' A' ' 76' ' ' VAL . 10.9 tp -52.72 -60.31 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.2 -11.74 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.493 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 30.6 m-20 -95.64 5.96 50.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 59.2 t -136.19 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.472 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -118.73 89.32 37.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 125.52 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.42 -35.7 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG11 ' CD2' ' A' ' 69' ' ' LEU . 5.4 p -38.6 152.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -85.36 -35.33 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.419 ' C ' HD23 ' A' ' 69' ' ' LEU . 7.1 m -166.73 164.68 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.9 mt -52.74 -37.05 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -47.6 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.73 -36.91 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.457 ' CA ' HG23 ' A' ' 76' ' ' VAL . . . -53.84 -49.68 57.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.2 mp -55.74 -40.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.05 -40.57 77.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.7 t -60.81 -40.59 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.795 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 19.1 m-85 -74.94 -20.64 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -46.45 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 8.6 ptp180 -69.92 -33.8 72.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 2.4 m-85 -82.49 -55.05 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -105.5 143.26 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -63.8 145.11 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.13 77.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.07 -53.33 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' CD ' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.74 -43.67 72.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.2 tm-20 -63.24 -52.51 61.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -19.55 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' GLU . 23.6 ttmt -67.82 -58.28 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.11 -55.58 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 126.78 -139.5 11.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 60' ' ' PHE . 3.0 t -128.31 154.44 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.467 HG11 ' CG2' ' A' ' 56' ' ' VAL . 30.1 m -137.34 106.63 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.45 98.57 7.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.491 HG22 ' CD1' ' A' ' 54' ' ' ILE . 6.1 pt -96.19 138.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 3.4 tt0 -95.49 122.58 38.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -111.87 176.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -160.78 102.62 1.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.451 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.5 Cg_endo -75.03 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.58 54.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.0 -11.61 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.94 143.95 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -113.8 155.95 24.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.971 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.09 128.76 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 7.3 mtt -130.84 176.44 8.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.18 137.02 7.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.559 ' CD2' ' CD2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -166.13 157.39 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -45.26 144.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.76 -37.79 74.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.7 -45.33 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 2.0 m-85 -62.52 -45.1 94.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 46' ' ' LYS . 7.5 mp -50.61 -47.56 58.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.5 mt -70.68 -31.79 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.531 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.6 mp -62.35 -41.99 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -42.95 84.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -48.12 61.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -76.59 4.31 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 1.6 pttt -69.3 -28.31 66.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 9.02 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 2.8 mttm -129.76 -101.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.53 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -163.22 176.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 13.8 tt0 -142.38 76.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -51.75 172.23 0.27 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 159.43 117.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.19 135.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.517 ' CG ' HG12 ' A' ' 101' ' ' VAL . 1.7 t80 -74.7 107.82 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -102.52 -169.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.9 -43.27 75.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -45.73 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -63.37 -31.47 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 10.2 mtp180 -63.27 -40.83 98.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -22.83 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.8 mt -70.6 141.18 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 171.97 5.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.33 55.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.3 177.84 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 50.7 t -136.31 150.45 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.407 ' CG2' ' HG3' ' A' ' 5' ' ' MET . 5.2 mt -127.43 132.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -104.24 124.75 49.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CD2' ' CD2' ' A' ' 7' ' ' LEU . 5.0 m-85 -101.24 126.08 47.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 64.84 41.34 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.74 -62.45 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.21 28.93 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 5.8 tmtm? -76.72 -39.42 51.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -130.5 117.16 19.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.6 mmtp -111.01 112.11 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' VAL . 18.4 m -114.43 152.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.91 114.19 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.4 t -50.01 130.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.27 167.01 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.67 149.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.81 144.97 24.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' CG2' HG13 ' A' ' 101' ' ' VAL . 3.0 t -125.27 141.81 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CE1' ' HB1' ' A' ' 102' ' ' ALA . 24.9 m-85 -125.34 178.15 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -75.33 -45.6 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -158.9 158.56 33.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.682 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -52.6 -32.3 40.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -40.74 93.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.61 -28.02 63.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.516 ' O ' ' CB ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -75.43 -47.1 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -67.65 -33.98 76.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -76.23 -47.91 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -78.59 -65.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -56.85 -49.62 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' O ' HG22 ' A' ' 72' ' ' VAL . . . 127.66 125.65 2.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD2' HG12 ' A' ' 76' ' ' VAL . 56.7 tp -53.59 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.52 -11.96 60.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.474 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 7.7 m-80 -95.26 18.94 11.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.411 HG21 ' CG2' ' A' ' 22' ' ' ILE . 55.7 t -146.8 -55.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -122.4 94.4 47.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.21 7.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.54 -31.22 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.5 HG12 ' CD2' ' A' ' 69' ' ' LEU . 7.5 p -38.93 150.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -84.92 -37.82 20.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -166.95 169.95 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 3.1 mm -54.4 -39.09 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -49.53 75.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.2 -49.68 55.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.5 mt -58.88 -42.5 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -56.04 -38.02 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.01 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.682 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 14.9 m-85 -75.28 -24.38 57.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -74.73 -43.03 57.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -63.66 -42.84 98.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 11.6 m-85 -82.53 -55.1 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -103.02 143.57 32.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.8 148.31 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 0.3 OUTLIER -74.23 -28.94 61.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -52.95 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.02 83.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.7 OUTLIER -62.1 -53.41 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -15.74 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -100.45 -54.56 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.14 -159.73 19.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 60' ' ' PHE . 1.7 t -113.77 153.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.517 HG12 ' CG ' ' A' ' 27' ' ' TYR . 31.4 m -137.46 114.64 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 57' ' ' TYR . . . -87.8 98.67 11.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -95.94 127.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -85.15 108.83 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 163.13 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -143.06 100.94 5.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.532 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.91 61.51 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -112.57 -27.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.244 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.193 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -117.75 158.03 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -141.03 139.98 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -127.58 138.55 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 24.0 mtt -150.17 111.9 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.44 ' CA ' ' OE2' ' A' ' 43' ' ' GLU . . . -79.69 156.67 40.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 5' ' ' MET . 0.5 OUTLIER -170.48 -179.12 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.751 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 157.77 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -39.3 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.14 -46.02 89.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.468 ' HB3' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.34 -29.1 70.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 47' ' ' LEU . 79.8 mt -67.48 -51.08 55.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.99 -32.43 70.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.87 -45.67 93.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -56.39 -38.83 57.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -28.35 69.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.9 -22.34 27.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.424 ' NH1' ' HG3' ' A' ' 23' ' ' GLU . 3.3 mtt-85 -77.73 1.45 20.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -72.35 -11.67 60.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -127.29 3.71 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 35.1 mmtt -116.67 -113.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.3 OUTLIER -167.16 173.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.523 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 5.1 tt0 -144.15 125.45 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.51 165.82 22.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 ptm85 176.74 137.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -37.46 111.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -50.85 115.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.99 -175.94 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.91 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 2.3 tpp180 -58.76 -43.21 90.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 1.8 mtt180 -54.25 -40.87 68.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -25.27 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -74.76 141.14 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 162.59 55.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 98.86 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.08 -26.97 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.2 m-20 -75.6 -176.24 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.75 145.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mp -124.17 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.453 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 46.8 t -94.2 136.02 34.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.481 ' CG ' HD23 ' A' ' 7' ' ' LEU . 16.0 m-30 -112.62 131.24 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' OE2' ' CA ' ' A' ' 6' ' ' GLY . 24.2 mm-40 58.22 49.67 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.07 -60.24 4.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.72 30.67 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -76.03 -40.19 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' HB2' ' CD2' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.19 115.98 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 8.3 mmtp -109.46 126.65 53.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 18.5 m -131.61 152.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 38' ' ' ASP . 3.6 tmm_? -130.78 127.5 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.1 t -59.67 144.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -41.44 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.22 152.23 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.462 ' CG1' HG22 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -105.12 150.08 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 87.7 mtt180 -154.35 136.08 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 57' ' ' TYR . 41.4 t -116.04 147.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 41.2 m-85 -132.92 179.34 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -76.48 -45.48 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -154.65 171.14 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.438 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -62.77 -37.99 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.74 -43.62 80.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.2 -33.62 75.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.544 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -75.29 -47.75 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -71.07 -32.26 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.8 mm-40 -76.37 -45.27 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -82.94 -64.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.5 OUTLIER -59.89 -53.52 56.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.57 129.59 3.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' CG ' HG12 ' A' ' 76' ' ' VAL . 8.5 tp -63.12 -59.3 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -11.99 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.553 ' N ' HD21 ' A' ' 71' ' ' ASN . 1.5 m-80 -96.08 6.84 47.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 22' ' ' ILE . 71.4 t -137.51 -51.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 1.0 OUTLIER -116.78 83.66 14.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.79 -35.9 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.488 HG12 ' CG ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -43.39 157.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -85.52 -31.64 22.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t -176.81 171.88 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -55.46 -33.43 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -52.15 56.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.49 -31.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.22 -45.59 95.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.592 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 1.6 mt -61.94 -27.85 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.04 -37.49 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.4 t -65.28 -34.38 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 2.5 m-30 -77.6 -14.48 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -75.69 -50.27 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 2.2 ptm180 -67.1 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 3.6 m-85 -87.48 -55.41 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.26 -161.7 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -153.25 174.31 14.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -76.44 -35.39 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -54.95 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 -47.59 73.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 99' ' ' GLY . 5.5 tt0 -65.43 -51.21 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -56.82 -18.42 12.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -72.49 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -102.24 -55.55 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.09 -179.37 16.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -98.74 122.24 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 27' ' ' TYR . 10.1 p -105.08 107.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.82 98.43 9.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.462 HG22 ' CG1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -96.8 134.54 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -84.68 106.25 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.462 ' O ' ' CD1' ' A' ' 105' ' ' ILE . 2.2 pp -94.5 142.54 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -133.12 99.69 14.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.0 108.04 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.69 71.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -149.52 20.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.8 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.501 0.191 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.91 151.68 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -124.18 134.98 53.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.19 150.98 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.5 mtm -153.68 -178.93 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.55 147.42 17.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 7' ' ' LEU . 1.4 pt? -172.57 171.91 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.93 162.29 4.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.54 -42.13 92.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.74 -36.3 82.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.38 -27.78 63.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' CD2' ' CB ' ' A' ' 42' ' ' PHE . 2.2 mt -64.35 -43.93 93.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.28 -30.2 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 5.9 mt -52.6 -33.98 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.533 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.8 mp -65.8 -46.61 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -25.67 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.01 -46.97 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.533 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.98 4.25 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.8 pttp -68.89 -29.56 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -85.66 5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.4 mttt -126.78 -107.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.54 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -163.65 179.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.54 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 46.7 tt0 -143.15 116.7 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 154.71 21.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 178.88 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -37.23 133.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 32' ' ' ARG . 1.1 t80 -65.74 77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.25 -165.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 2.1 mt-10 -75.23 -51.79 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -36.13 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -61.14 -49.78 75.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 8.1 ptp180 -64.68 -24.13 67.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -74.44 -31.33 62.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.0 mt -74.94 124.31 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -119.01 165.84 15.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -74.98 79.35 2.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.23 49.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.21 -171.19 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 40' ' ' ILE . 76.4 t -137.01 146.99 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.459 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.4 mt -119.14 148.92 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 44' ' ' GLY . 33.1 t -125.98 147.38 49.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' CB ' ' CD2' ' A' ' 12' ' ' LEU . 58.3 m-85 -126.29 136.53 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 46' ' ' LYS . 7.3 mm-40 61.69 17.83 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.422 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 102.86 -55.75 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.28 27.18 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 16.3 tptt -71.67 -45.07 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 15' ' ' ILE . 1.4 tm? -149.19 119.16 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -102.92 143.45 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 15' ' ' ILE . 34.5 m -137.45 169.79 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -144.25 125.48 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.07 143.13 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -42.02 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.45 162.88 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -121.16 148.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' O ' ' CA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.03 147.5 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' CG2' HG13 ' A' ' 101' ' ' VAL . 2.1 t -123.37 146.5 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.556 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 49.7 m-85 -132.36 -178.97 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -76.11 -46.49 28.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 169.46 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.805 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -58.95 -36.26 74.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -55.9 -44.55 78.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.56 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.556 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 4.5 mtp -75.7 -47.34 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 69' ' ' LEU . 19.0 mt -69.52 -31.17 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.1 mm-40 -76.19 -49.35 17.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -80.69 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 3.9 tp10 -58.65 -50.75 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.6 127.71 3.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' A' ' 76' ' ' VAL . 16.8 tp -57.53 -60.02 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.23 -16.0 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.725 ' N ' HD21 ' A' ' 71' ' ' ASN . 0.8 OUTLIER -91.94 13.04 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 71' ' ' ASN . 87.9 t -138.07 -50.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.456 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 3.5 tp -124.48 98.86 37.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.87 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 114.55 -27.53 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' A' ' 69' ' ' LEU . 10.0 p -38.37 148.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -83.24 -37.3 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 t -170.86 172.94 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.5 mt -58.38 -38.62 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.09 84.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -38.92 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -44.8 60.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.413 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 1.8 mt -62.96 -33.57 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.27 -38.81 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.07 -40.9 90.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.805 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 6.8 m-30 -70.37 -33.25 71.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -34.63 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -61.69 -45.5 93.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.89 -54.42 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -91.14 146.98 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 141.92 46.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.58 -34.79 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -53.91 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -45.38 84.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tt0 -57.22 -52.31 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.42 -15.29 62.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -58.82 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -97.52 -55.2 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.9 -150.22 17.29 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.546 HG13 ' CD1' ' A' ' 60' ' ' PHE . 2.0 t -115.55 156.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.534 HG12 ' CG ' ' A' ' 27' ' ' TYR . 7.3 m -137.6 107.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -79.49 98.13 6.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.25 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.507 ' O ' ' CD1' ' A' ' 22' ' ' ILE . 15.9 pt -101.33 133.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.0 tt0 -92.67 114.03 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.407 ' H ' ' CD1' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -104.18 170.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -144.58 103.44 4.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.469 ' CD ' ' HB2' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.01 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.459 ' H ' ' CD1' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -84.3 60.6 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -143.06 16.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.471 0.177 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -127.39 156.46 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -140.22 147.09 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 107.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 2.7 tt0 -132.32 169.49 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' SER . 24.8 mmt -152.24 175.47 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -140.05 128.41 3.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 11' ' ' PHE . 1.1 pt? -164.07 177.97 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 166.74 23.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.0 -40.41 65.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.33 -35.38 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -74.91 -27.24 60.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.463 HD22 ' CB ' ' A' ' 47' ' ' LEU . 20.1 mt -62.85 -43.56 98.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.17 -35.98 70.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.9 mt -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 3.7 mp -58.66 -43.47 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -56.48 -31.03 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.83 -23.89 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 4.2 mtt180 -74.91 1.37 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.37 -27.73 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -109.78 -1.5 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 16.5 mttt -116.67 -116.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 0.4 OUTLIER -168.71 178.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.521 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 8.1 pt-20 -144.67 129.28 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.06 159.39 20.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 103' ' ' ILE . 0.6 OUTLIER 169.67 117.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.278 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.2 OUTLIER -39.87 144.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.522 ' CG ' HG13 ' A' ' 101' ' ' VAL . 0.2 OUTLIER -75.24 127.27 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -116.68 178.96 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.38 -34.89 73.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.65 -44.24 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.594 ' CZ ' ' CD1' ' A' ' 34' ' ' ILE . 2.0 mmt180 -58.06 -41.85 84.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -50.79 -39.7 53.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.37 -29.39 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.594 ' CD1' ' CZ ' ' A' ' 31' ' ' ARG . 70.9 mt -69.39 150.28 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -146.22 163.12 31.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.95 95.44 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.59 -28.6 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.409 ' C ' HG22 ' A' ' 39' ' ' VAL . 12.1 m-20 -75.54 -172.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG22 ' C ' ' A' ' 38' ' ' ASP . 96.5 t -135.87 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mt -116.89 116.39 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.49 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 4.7 t -84.3 145.69 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.947 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.443 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 5.1 m-85 -125.17 131.4 53.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.61 43.4 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 88.71 -61.45 3.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.54 28.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.77 -39.45 44.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -132.61 116.39 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -106.56 138.65 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 107' ' ' PRO . 1.8 m -139.94 161.26 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -137.1 118.06 14.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.245 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.5 t -48.46 145.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -41.66 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 155.68 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.28 144.6 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.512 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -145.1 147.0 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.1 t -122.66 145.73 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.58 ' CG ' ' CG ' ' A' ' 63' ' ' MET . 16.1 m-85 -132.49 179.6 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -46.36 27.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.16 -175.6 5.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.586 ' CE1' HG11 ' A' ' 100' ' ' VAL . 24.0 m-85 -70.23 -40.14 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.5 tpp85 -55.6 -45.32 77.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -66.67 -41.39 88.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.58 ' CG ' ' CG ' ' A' ' 57' ' ' TYR . 13.3 mtp -61.37 -50.91 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.29 -30.73 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -83.49 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.6 mm-40 -61.4 -54.66 40.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.41 127.34 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD12 ' CG2' ' A' ' 76' ' ' VAL . 37.5 tp -51.79 -61.6 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.76 -12.48 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.416 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 36.8 m-20 -94.89 8.5 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 22' ' ' ILE . 88.3 t -137.66 -49.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' CD2' ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -125.88 94.87 41.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 127.94 11.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 110.07 -31.2 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG2' HD12 ' A' ' 69' ' ' LEU . 7.2 p -38.3 152.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -86.0 -35.7 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 m -168.83 168.67 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 27.4 mt -55.74 -40.35 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.54 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.34 -39.51 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.84 -44.69 61.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.79 -41.96 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -55.12 -36.9 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.406 HG12 ' CD1' ' A' ' 86' ' ' TYR . 1.3 t -65.19 -48.01 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.579 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . 12.7 m-85 -67.66 -22.17 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -47.69 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 2.6 ptm85 -69.61 -35.33 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.0 m-85 -76.1 -55.53 5.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.08 153.27 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.63 148.21 46.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -37.39 61.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -54.28 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -36.2 76.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.564 ' OE2' ' CZ ' ' A' ' 60' ' ' PHE . 9.6 tp10 -65.2 -54.04 35.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -15.68 62.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -59.01 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.04 -53.26 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.62 -124.77 4.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.586 HG11 ' CE1' ' A' ' 60' ' ' PHE . 2.3 t -144.96 150.66 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.522 HG13 ' CG ' ' A' ' 27' ' ' TYR . 2.8 p -136.33 107.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.57 ' HB2' ' CE1' ' A' ' 57' ' ' TYR . . . -83.51 97.97 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.47 ' CD1' ' HD2' ' A' ' 25' ' ' ARG . 2.8 mt -89.95 125.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.29 106.68 15.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.8 162.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -138.17 93.49 11.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.492 ' HD2' ' CB ' ' A' ' 19' ' ' LYS . 18.3 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.44 88.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' TYR . 2.2 tp10 -162.24 -141.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLU . 1.2 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -111.51 141.38 45.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -131.01 138.59 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.495 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 7.4 mtt -151.24 -175.07 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.662 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -154.15 147.38 16.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.898 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -167.13 158.52 12.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -50.51 144.32 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -42.38 66.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.23 -36.19 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -74.18 -27.11 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.597 HD13 ' HD2' ' A' ' 46' ' ' LYS . 66.9 mt -65.93 -49.64 67.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.67 -34.22 61.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -56.4 -45.16 80.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -57.34 -37.57 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HE2' HD21 ' A' ' 47' ' ' LEU . 5.0 mtmt -65.53 -29.02 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.54 -18.5 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 4.7 mtt180 -84.29 1.15 46.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -10.46 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -130.09 6.7 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 24.9 mttt -125.7 -114.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.002 HG22 HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -166.98 172.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.621 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -143.27 114.73 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -85.12 173.01 48.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 158.46 104.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.3 133.66 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.797 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -59.03 129.3 41.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -126.03 -175.25 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.81 -51.24 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -39.45 86.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.7 tpp180 -64.41 -44.19 92.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -50.98 -38.14 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.03 -28.96 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 31' ' ' ARG . 79.8 mt -69.61 121.87 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.24 161.48 56.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 84.78 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.99 49.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.88 -166.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -139.04 148.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 51' ' ' VAL . 2.1 mt -122.14 113.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 1.2 m -89.89 127.6 36.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.898 ' CD1' HD21 ' A' ' 7' ' ' LEU . 28.8 m-85 -105.87 141.93 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 46.22 40.49 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.34 -62.64 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.3 29.51 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.597 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.615 HD21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -135.85 112.63 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 10.6 mmtp -102.82 133.55 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG11 HG21 ' A' ' 15' ' ' ILE . 32.7 m -136.91 153.82 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HB3' HD21 ' A' ' 108' ' ' LEU . 4.6 ttp180 -131.11 119.83 22.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 36' ' ' PRO . 61.0 t -50.64 138.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 -43.11 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.98 157.39 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.47 144.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -137.94 160.72 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.595 HG22 HG12 ' A' ' 101' ' ' VAL . 4.9 t -135.39 140.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CG ' ' HG2' ' A' ' 63' ' ' MET . 17.8 m-85 -133.12 -176.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -76.45 -46.28 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.54 ' HA ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -165.8 -178.61 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 95' ' ' GLU . 32.1 m-85 -60.58 -38.72 85.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 9.4 tpp180 -55.46 -52.88 62.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -65.44 -29.22 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.555 ' HG2' ' CG ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -72.9 -49.66 28.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.713 HD13 HD13 ' A' ' 69' ' ' LEU . 63.1 mt -71.97 -32.23 67.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 72.9 mt-10 -75.47 -43.71 47.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 19.5 ttmt -83.05 -64.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.1 tm-20 -61.45 -52.63 63.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.617 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 131.26 129.59 3.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.934 HD11 HG21 ' A' ' 76' ' ' VAL . 24.0 tp -60.89 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.49 -12.36 60.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' ILE . 3.0 m120 -92.91 6.3 48.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 22' ' ' ILE . 94.1 t -133.99 -52.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.788 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -117.58 95.61 47.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.23 -25.98 8.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.934 HG21 HD11 ' A' ' 69' ' ' LEU . 7.0 p -39.43 148.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -85.42 -35.1 21.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.443 ' H ' HG22 ' A' ' 76' ' ' VAL . 8.7 m -167.4 167.81 13.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 83' ' ' ILE . 58.3 mt -55.32 -44.09 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.88 99.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -38.79 92.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.75 -49.48 78.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -55.46 -41.92 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.39 -38.32 74.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.21 -41.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.713 ' CE1' HD13 ' A' ' 73' ' ' LEU . 18.0 m-85 -75.1 -25.15 58.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -43.78 51.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -66.36 -37.74 85.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.501 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 7.8 m-85 -83.77 -55.2 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -97.79 136.26 38.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.15 153.54 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.15 -35.81 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -55.11 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -45.4 77.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -58.88 -51.44 70.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -65.53 -20.31 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -66.99 -60.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -101.53 -55.46 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 133.06 -126.51 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 59' ' ' SER . 8.1 t -141.26 145.29 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.797 HG21 ' CD1' ' A' ' 27' ' ' TYR . 27.3 m -137.2 108.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.429 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -74.79 98.48 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.482 HD13 ' HD2' ' A' ' 31' ' ' ARG . 1.5 mp -85.22 107.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.52 114.23 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 105' ' ' ILE . 1.9 pp -112.54 148.95 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -144.64 107.84 4.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.97 118.4 5.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -98.15 144.45 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.98 116.16 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 6.7 mtt -121.77 -175.04 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -151.97 150.66 22.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.957 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -174.7 178.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 155.6 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.22 -49.26 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.38 -34.04 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.957 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.23 -30.08 62.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.934 HD22 ' CB ' ' A' ' 47' ' ' LEU . 12.7 mt -65.79 -43.71 87.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -54.88 -35.46 64.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.61 -43.54 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.762 HG21 HG11 ' A' ' 49' ' ' VAL . 3.3 mp -59.04 -42.31 85.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -58.7 -29.75 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 -24.69 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 3.5 mtt180 -77.11 0.81 20.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -72.51 -13.25 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -126.32 2.58 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 16.4 mttt -123.04 -113.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.891 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.41 171.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.716 ' HB3' HD12 ' A' ' 105' ' ' ILE . 4.6 tt0 -143.23 92.86 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' CA ' ' HE1' ' A' ' 63' ' ' MET . . . -66.35 170.52 30.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.2 ttt180 171.64 114.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -39.41 135.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.544 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -69.24 89.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.29 -167.18 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.74 -47.37 39.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.69 -39.65 85.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.6 mmp_? -57.17 -37.8 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -40.66 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -29.04 67.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' ARG . 96.3 mt -68.14 142.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 164.27 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.34 2.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.01 -30.22 1.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -75.31 171.72 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -134.37 131.03 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.442 HD12 HG23 ' A' ' 49' ' ' VAL . 2.6 mt -100.88 128.62 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -104.29 118.22 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.915 ' HB3' HD21 ' A' ' 12' ' ' LEU . 38.5 m-85 -96.75 137.44 35.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.527 ' HG3' HD11 ' A' ' 12' ' ' LEU . 25.1 mt-10 53.7 36.69 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.42 -61.57 3.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.11 28.08 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.779 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -75.79 -39.63 56.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.934 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -140.71 115.92 9.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 4.0 mmmm -107.17 136.59 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 107' ' ' PRO . 27.1 m -136.4 153.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.629 ' HB2' HG22 ' A' ' 39' ' ' VAL . 4.8 ttp180 -129.68 116.56 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.38 146.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.69 -40.17 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -174.1 166.98 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.12 149.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 101' ' ' VAL . 25.4 mtt-85 -157.93 122.23 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.58 151.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 10.7 m-85 -133.22 -179.19 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.15 -46.59 27.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 163.6 37.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.917 ' CD1' HG11 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.7 -37.68 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -38.52 70.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.31 -28.25 61.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.573 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 9.3 mtp -75.74 -50.26 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.763 HD21 ' OH ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -63.63 -31.69 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.98 -45.61 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -76.83 -66.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 72.6 mm-40 -60.12 -49.28 78.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 125.94 126.9 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.997 ' CD1' HG11 ' A' ' 76' ' ' VAL . 19.4 tp -55.25 -59.4 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.06 -23.57 65.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.422 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 11.5 m120 -90.04 17.09 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.891 HG22 HG22 ' A' ' 22' ' ' ILE . 12.7 t -139.6 -48.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.844 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -129.43 96.94 26.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.44 4.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.91 -28.74 5.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.997 HG11 ' CD1' ' A' ' 69' ' ' LEU . 7.4 p -39.97 148.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -85.74 -36.11 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 m -168.36 164.97 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.73 -40.5 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -45.17 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.5 -39.63 94.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.93 -46.84 60.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -58.43 -41.74 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.5 -37.47 67.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 t -64.57 -48.86 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.763 ' OH ' HD21 ' A' ' 64' ' ' LEU . 13.3 m-30 -64.72 -21.85 66.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -75.59 -45.64 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -71.76 -32.06 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.401 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.77 -53.67 5.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.558 ' HB3' HD23 ' A' ' 26' ' ' LEU . 3.9 m-85 -111.32 146.4 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.83 145.72 55.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.468 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 42.9 tp10 -73.02 -38.01 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -53.78 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -42.19 78.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 17.0 tt0 -64.31 -52.95 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -16.47 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -74.62 -59.48 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.29 -55.47 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.5 -145.93 16.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.917 HG11 ' CD1' ' A' ' 60' ' ' PHE . 1.7 t -125.37 149.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.651 ' O ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -136.09 115.82 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.26 99.09 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -89.14 115.23 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 26.9 tt0 -74.91 110.44 9.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -105.31 165.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.855 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -145.79 97.24 4.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.838 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.855 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -117.67 147.22 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.981 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' SER . 1.1 pm0 -140.31 144.63 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 9.5 mtt -148.03 136.67 21.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.38 140.62 15.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.904 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -164.98 173.52 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.796 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -74.95 162.67 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -67.23 -45.13 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -34.4 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.904 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.26 -28.26 59.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.993 HD22 ' CB ' ' A' ' 47' ' ' LEU . 67.5 mt -66.93 -49.13 66.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -54.68 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.78 -45.17 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.676 HD12 HH11 ' A' ' 18' ' ' ARG . 0.7 OUTLIER -58.23 -37.23 61.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' HD21 ' A' ' 47' ' ' LEU . 5.0 ttmt -64.77 -30.12 71.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -85.03 -22.61 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HB2' HD11 ' A' ' 105' ' ' ILE . 7.1 mtt180 -77.78 0.94 21.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -73.3 -9.29 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -131.86 7.23 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 30.6 mttt -124.54 -111.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.915 HG22 HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -166.75 170.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.578 ' N ' HG23 ' A' ' 22' ' ' ILE . 15.0 tt0 -146.02 98.61 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.623 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -96.83 -178.87 34.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 161.01 129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.869 HD13 ' HA ' ' A' ' 95' ' ' GLU . 3.2 tp -37.43 124.81 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.733 ' HD1' HG21 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -62.15 172.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -178.52 -176.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.28 -50.18 64.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -66.79 -38.91 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.9 -53.19 50.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.584 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 ptp180 -63.89 -15.64 59.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -66.58 -42.98 86.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.005 HG22 HG21 ' A' ' 51' ' ' VAL . 10.3 mt -75.13 124.25 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -115.23 173.48 2.9 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.4 2.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.47 50.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.33 -169.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 49' ' ' VAL . 42.4 t -139.3 150.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.72 HD11 HG23 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -126.2 96.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 55.5 p -76.49 124.8 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.688 ' HB3' HD21 ' A' ' 12' ' ' LEU . 17.1 m-85 -100.86 150.8 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HG3' HD11 ' A' ' 12' ' ' LEU . 14.4 mm-40 45.2 47.65 10.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.11 -61.76 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.14 27.42 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -77.0 -40.09 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 109.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.993 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -135.61 118.8 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -106.89 141.52 37.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 40' ' ' ILE . 27.3 m -141.96 155.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.536 ' NH1' HD21 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -133.61 121.15 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.005 HG21 HG22 ' A' ' 34' ' ' ILE . 96.3 t -54.71 141.79 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -41.49 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 159.68 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -114.7 147.59 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.09 151.93 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG13 HG12 ' A' ' 101' ' ' VAL . 3.2 t -129.48 140.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.5 m-85 -126.63 -178.7 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -45.81 32.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -158.02 166.09 33.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.787 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -57.34 -36.18 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 2.3 ttm180 -56.87 -45.44 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -63.67 -32.92 74.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.925 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.3 mtp -74.99 -48.83 22.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD11 ' HE2' ' A' ' 86' ' ' TYR . 1.2 mt -68.11 -28.92 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.2 mm-40 -75.34 -49.51 18.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -64.95 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -54.89 -52.52 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.758 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.61 130.33 3.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.902 ' CD1' HG11 ' A' ' 76' ' ' VAL . 14.9 tp -63.97 -59.24 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.27 -8.14 29.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 10.1 m-20 -91.53 -11.12 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 22' ' ' ILE . 21.2 t -121.86 -40.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.9 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.2 tp -126.32 89.03 53.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.06 -25.67 8.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.902 HG11 ' CD1' ' A' ' 69' ' ' LEU . 6.7 p -39.82 152.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -83.57 -35.28 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.557 ' H ' HG22 ' A' ' 76' ' ' VAL . 9.6 m -172.51 165.8 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.56 ' O ' HD12 ' A' ' 83' ' ' ILE . 21.1 mt -53.75 -41.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -46.37 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.58 -39.39 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.31 64.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mp -62.38 -45.03 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -55.41 -37.51 67.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.96 -49.39 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.695 ' CE1' HD13 ' A' ' 73' ' ' LEU . 16.1 m-85 -66.79 -26.07 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -28.93 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -73.58 -39.13 64.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -92.89 -51.9 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -96.96 122.77 40.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.29 147.28 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.22 -30.1 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.19 -51.81 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.869 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -65.15 -53.28 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -18.93 65.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -59.24 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -100.44 -55.16 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 124.89 -160.09 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.787 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.2 t -107.05 157.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.733 HG21 ' HD1' ' A' ' 27' ' ' TYR . 17.3 m -137.62 107.55 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.925 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -78.22 98.12 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.451 HD13 ' CZ ' ' A' ' 31' ' ' ARG . 37.3 pt -99.41 122.69 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 114.34 15.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.904 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -108.76 145.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.02 105.88 6.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.524 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.536 HD21 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -115.8 143.83 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -125.46 149.12 48.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' SER . 3.3 mtt -151.51 -172.14 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.93 147.31 14.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.7 pt? -169.31 163.03 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.69 148.62 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -38.89 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.14 -34.84 79.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.28 -27.43 59.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.665 HD23 ' HB2' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -65.65 -33.99 77.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.89 -31.77 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.07 -45.78 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.794 HG21 HG11 ' A' ' 49' ' ' VAL . 3.0 mp -59.38 -44.61 92.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -33.14 55.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 17' ' ' LEU . 10.0 mt -85.37 -21.49 28.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 23' ' ' GLU . 14.0 mtt180 -71.59 0.1 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -72.59 -12.22 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -126.86 2.7 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mmtm -119.43 -115.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.142 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.7 172.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.839 ' HB3' HD12 ' A' ' 105' ' ' ILE . 82.0 tt0 -148.6 102.91 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -123.13 150.64 16.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 19.8 mtt180 -161.09 162.03 31.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.797 HD13 ' HA ' ' A' ' 95' ' ' GLU . 1.7 tp -55.65 109.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.834 ' CD2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -45.75 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 28.7 m-20 -169.26 173.57 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.9 -48.84 78.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -42.39 95.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.866 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -68.54 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -51.14 -42.27 60.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -27.3 68.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 31' ' ' ARG . 51.9 mt -73.62 130.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' CD ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -129.42 166.37 26.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.01 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.79 52.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.12 -170.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 13.3 t -136.74 150.94 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.31 140.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -115.33 135.92 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.635 ' CD1' HD22 ' A' ' 7' ' ' LEU . 38.5 m-85 -112.88 131.56 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' CG ' HD11 ' A' ' 12' ' ' LEU . 16.9 mm-40 61.37 40.99 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.52 -61.97 1.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.19 34.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.655 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.72 -40.23 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -134.29 123.63 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -107.06 138.06 43.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.807 HG12 ' HB3' ' A' ' 107' ' ' PRO . 32.9 m -136.8 158.86 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.43 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.503 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 59.7 t -64.3 142.3 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -41.67 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.7 163.66 9.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.762 HG13 HG22 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -120.53 149.07 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 3.0 mtt85 -151.83 154.58 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.65 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.4 t -126.19 144.55 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.3 m-85 -130.04 175.15 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -74.92 -44.01 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.69 167.11 31.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.939 ' O ' HD22 ' A' ' 64' ' ' LEU . 2.6 m-85 -56.42 -36.88 69.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -56.54 -48.7 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.98 -29.96 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.921 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 1.3 mtp -75.66 -49.58 17.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.939 HD22 ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.3 mm-40 -72.3 -44.41 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -84.77 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 22' ' ' ILE . 2.2 tp10 -60.36 -55.06 38.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.48 128.58 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.054 HD11 HG11 ' A' ' 76' ' ' VAL . 12.9 tp -59.25 -59.37 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.69 -8.64 29.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.456 ' HA ' ' CD ' ' A' ' 21' ' ' LYS . 8.2 m-80 -94.92 6.88 47.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.142 HG22 HG22 ' A' ' 22' ' ' ILE . 87.3 t -138.37 -53.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.928 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -115.68 87.48 17.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.84 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.24 -33.17 3.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 69' ' ' LEU . 2.9 p -38.47 155.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -85.22 -34.41 22.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -172.7 170.14 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.413 HG12 HD22 ' A' ' 69' ' ' LEU . 5.6 mt -57.06 -35.65 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -47.98 74.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.73 -37.58 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.73 -43.82 60.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.2 mt -63.95 -37.74 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -62.11 -37.35 84.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.33 -49.26 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.599 ' HE1' HD13 ' A' ' 73' ' ' LEU . 3.8 m-30 -60.81 -22.15 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -47.72 45.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -75.2 -20.97 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 1.3 m-85 -91.42 -55.59 3.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -115.17 148.03 39.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.18 144.54 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.03 -32.72 61.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -51.57 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.14 81.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.797 ' HA ' HD13 ' A' ' 26' ' ' LEU . 3.2 tm-20 -64.92 -53.07 52.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.23 -18.66 65.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -59.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -100.36 -55.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.55 -165.01 13.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.755 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.3 t -99.22 155.11 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.834 HG11 ' CD2' ' A' ' 27' ' ' TYR . 3.4 m -137.66 107.62 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.921 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -81.41 98.09 8.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.762 HG22 HG13 ' A' ' 54' ' ' ILE . 30.8 pt -96.99 134.64 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 8.3 tt0 -90.53 120.29 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.839 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -125.01 163.65 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.46 107.62 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.807 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.592 ' HB3' HG23 ' A' ' 40' ' ' ILE . 97.6 m95 -87.4 132.64 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.45 131.65 46.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 mmt -124.1 -159.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.33 58.13 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.076 HD21 ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -75.82 176.28 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.99 157.17 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.29 -50.18 74.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.96 -32.87 61.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -75.59 -28.16 58.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.826 HD22 ' CB ' ' A' ' 47' ' ' LEU . 37.9 mt -64.17 -46.76 82.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -31.61 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 74' ' ' PRO . 8.0 mt -60.57 -45.35 94.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.807 HG22 ' HG3' ' A' ' 107' ' ' PRO . 2.2 mp -57.81 -35.56 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -66.02 -35.16 79.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -20.12 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.479 ' CZ ' ' OE1' ' A' ' 23' ' ' GLU . 12.7 mtt180 -76.87 -0.56 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -74.46 -9.25 58.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -118.86 -7.73 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 66.1 mttt -115.69 -116.24 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.686 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.34 171.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.797 ' HB3' HD12 ' A' ' 105' ' ' ILE . 19.1 tp10 -145.35 103.01 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 102' ' ' ALA . . . -115.11 175.48 16.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.74 -178.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -65.48 130.71 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.766 ' HD1' HG21 ' A' ' 101' ' ' VAL . 5.6 t80 -71.06 75.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.96 -176.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 22.5 mm-40 -69.01 -46.6 67.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.67 87.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -58.0 -49.95 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 6.1 ptm180 -65.34 -20.33 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -32.35 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.689 ' CG2' HG21 ' A' ' 51' ' ' VAL . 49.4 mt -68.6 143.47 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.85 159.62 69.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.95 47.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.59 -171.96 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.3 t -136.63 146.31 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.641 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.1 mt -122.14 101.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' TRP . 9.3 p -76.45 147.6 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.076 ' CG ' HD21 ' A' ' 7' ' ' LEU . 16.2 m-30 -122.22 142.41 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG3' HD11 ' A' ' 12' ' ' LEU . 14.3 mm-40 47.96 40.84 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.89 -61.72 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.46 32.06 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.825 ' HD2' HD13 ' A' ' 12' ' ' LEU . 1.8 tmtt? -75.62 -40.33 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.826 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.99 115.42 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 12.0 mmtm -99.43 132.73 44.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 15' ' ' ILE . 32.6 m -133.99 154.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HB2' HG22 ' A' ' 39' ' ' VAL . 6.0 ttp180 -134.58 120.83 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.689 HG21 ' CG2' ' A' ' 34' ' ' ILE . 59.1 t -54.66 140.57 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -41.92 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 103' ' ' ILE . . . -170.37 166.22 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -120.19 149.67 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 1.5 mmt85 -150.9 149.47 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.889 HG13 ' CG1' ' A' ' 101' ' ' VAL . 1.8 t -125.09 145.97 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.533 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 40.3 m-85 -132.6 179.35 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.68 -45.5 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 178.99 9.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.69 ' CD1' HG11 ' A' ' 100' ' ' VAL . 4.8 m-85 -69.4 -43.45 73.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -55.3 -32.99 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -31.75 63.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.559 ' HG2' ' HB2' ' A' ' 102' ' ' ALA . 1.1 mtp -75.47 -50.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -65.74 -26.78 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.0 mm-40 -75.54 -39.9 57.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.6 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.59 -53.19 58.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' A' ' 71' ' ' ASN . . . 130.94 121.95 2.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.843 HD11 HG21 ' A' ' 76' ' ' VAL . 25.7 tp -48.87 -58.86 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.28 -14.45 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.45 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 72.6 m-20 -91.36 22.49 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 22' ' ' ILE . 72.2 t -152.46 -56.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.787 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -113.85 92.78 26.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.449 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 121.34 -26.0 6.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.843 HG21 HD11 ' A' ' 69' ' ' LEU . 4.9 p -39.82 150.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -85.18 -36.1 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 76' ' ' VAL . 19.3 m -170.37 165.76 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.468 ' N ' HD22 ' A' ' 69' ' ' LEU . 16.1 mt -53.05 -36.62 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -49.27 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.68 -40.21 91.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 86' ' ' TYR . . . -52.83 -39.77 56.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.5 mt -66.93 -33.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -66.53 -36.35 82.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.54 -41.76 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.77 ' HE1' HD13 ' A' ' 73' ' ' LEU . 1.9 m-30 -69.81 -29.41 66.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.01 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -85.04 -55.06 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -97.84 137.67 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 141.37 58.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -66.23 -42.47 88.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -55.03 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.08 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.6 OUTLIER -64.14 -53.14 54.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.34 -15.67 62.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.27 -51.84 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.98 -135.45 10.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.0 t -133.25 153.78 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.889 ' CG1' HG13 ' A' ' 56' ' ' VAL . 5.4 m -137.3 110.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.559 ' HB2' ' HG2' ' A' ' 63' ' ' MET . . . -82.24 97.7 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' ALA . 2.6 mp -89.78 135.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 16.7 tt0 -91.83 113.67 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.797 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -119.4 167.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.59 113.24 1.51 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.807 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.4 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.423 ' HB2' HG23 ' A' ' 40' ' ' ILE . 41.2 m95 -94.45 154.88 17.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.03 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -139.48 123.57 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.41 ' HG3' HG21 ' A' ' 40' ' ' ILE . 2.1 mmt -129.63 -175.29 3.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.71 142.32 9.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.8 pt? -168.43 149.73 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -40.64 139.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 -31.75 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.39 -36.13 77.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.77 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.07 -38.42 66.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.727 HD12 ' HG ' ' A' ' 7' ' ' LEU . 6.1 mp -55.2 -41.33 71.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -31.41 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 74' ' ' PRO . 18.8 mt -67.87 -44.66 76.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.73 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.6 mp -56.18 -45.42 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.594 ' HE2' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.82 -31.28 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 2.0 mt -85.67 -19.77 30.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 72' ' ' VAL . 6.8 mtt85 -73.93 0.56 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.68 -29.83 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 0.29 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HB3' ' C ' ' A' ' 71' ' ' ASN . 6.8 mptt -118.77 -114.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.95 175.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.66 ' N ' HG23 ' A' ' 22' ' ' ILE . 38.0 tt0 -144.55 99.42 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -86.06 -178.17 49.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mmm-85 158.91 121.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.04 133.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.588 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.0 t80 -61.78 101.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.19 -168.1 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.3 mt-10 -75.87 -41.83 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -41.93 86.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.79 -51.76 67.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 27' ' ' TYR . 15.5 ptp180 -63.86 -21.32 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -37.0 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.683 ' CG2' HG21 ' A' ' 51' ' ' VAL . 73.5 mt -75.08 160.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.14 164.11 24.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.0 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.57 -35.6 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.25 -179.47 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 49' ' ' VAL . 21.7 t -138.95 151.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.591 HD12 HG23 ' A' ' 49' ' ' VAL . 1.5 mt -120.08 152.12 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 5.0 m -124.75 125.29 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CD1' HD21 ' A' ' 7' ' ' LEU . 47.7 m-85 -98.13 151.85 19.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 39.14 40.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.87 -63.21 2.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.433 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -168.03 29.08 0.16 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -75.58 -31.48 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.73 HD21 ' CG2' ' A' ' 15' ' ' ILE . 44.0 tp -151.79 132.37 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -126.8 150.02 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 39' ' ' VAL . 17.8 m -140.13 160.0 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.707 ' NH1' HD22 ' A' ' 108' ' ' LEU . 8.9 ttm105 -128.57 116.58 19.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.683 HG21 ' CG2' ' A' ' 34' ' ' ILE . 79.4 t -54.61 133.49 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -44.22 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.02 157.53 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.579 HD11 HG12 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.75 149.36 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 10.8 mmm180 -142.7 155.5 44.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 101' ' ' VAL . 2.6 t -131.88 140.76 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 63' ' ' MET . 24.9 m-85 -132.22 178.29 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -45.44 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -154.01 166.27 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.847 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -57.92 -36.68 72.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.15 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.44 -42.9 91.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.845 ' HG2' ' HB2' ' A' ' 102' ' ' ALA . 1.4 mtp -61.86 -49.76 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.776 HD11 ' HE2' ' A' ' 86' ' ' TYR . 8.0 mt -66.5 -29.3 69.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.69 -43.11 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.09 -52.15 66.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.19 123.74 2.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.006 HD11 HG21 ' A' ' 76' ' ' VAL . 11.7 tp -56.59 -58.69 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.36 -18.82 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' C ' ' HB3' ' A' ' 21' ' ' LYS . 74.0 m-20 -89.8 12.37 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 22' ' ' ILE . 55.0 t -137.3 -58.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.681 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -112.42 97.36 39.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.55 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.97 117.18 4.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.54 -23.12 12.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.006 HG21 HD11 ' A' ' 69' ' ' LEU . 14.9 p -40.32 148.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -85.45 -37.11 20.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -167.36 165.56 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 83' ' ' ILE . 26.9 mt -54.98 -39.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -45.27 85.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -38.96 93.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.91 -50.39 61.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.3 mt -57.54 -40.68 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -57.62 -37.56 73.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.29 -49.48 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.776 ' HE2' HD11 ' A' ' 64' ' ' LEU . 17.3 m-85 -64.81 -30.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.46 -34.73 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -64.01 -48.02 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -79.42 -52.27 8.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -92.21 143.03 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.68 147.6 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -34.63 64.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -54.72 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -41.78 89.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.9 tm-20 -61.98 -52.56 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -65.07 -13.41 57.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -74.28 -59.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.26 -53.36 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.02 -133.31 8.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.847 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.8 t -133.04 151.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.567 HG21 ' HD1' ' A' ' 27' ' ' TYR . 12.7 m -137.27 108.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 63' ' ' MET . . . -74.15 98.24 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.579 HG12 HD11 ' A' ' 54' ' ' ILE . 2.9 mt -86.15 126.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 29.3 tt0 -93.17 106.62 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -107.01 173.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -154.88 101.32 2.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.631 ' CB ' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.97 104.31 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.707 HD22 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -101.7 144.6 30.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.1 140.06 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 mtt -140.02 -172.58 3.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.45 62.57 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.78 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -75.97 -175.67 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.3 38.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.2 tt0 -62.3 -49.8 74.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 -32.48 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -75.19 -32.53 61.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 42' ' ' PHE . 24.3 mt -60.94 -45.77 93.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.87 -34.06 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD22 ' HG2' ' A' ' 74' ' ' PRO . 19.0 mt -59.53 -44.99 93.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.847 HG21 HG11 ' A' ' 49' ' ' VAL . 2.6 mp -56.64 -37.03 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -64.13 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -21.89 29.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 mtt180 -78.45 1.61 21.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -72.46 -11.74 60.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.77 7.28 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 9.5 mttt -126.15 -115.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -168.19 178.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.707 ' N ' HG23 ' A' ' 22' ' ' ILE . 11.9 pt-20 -144.47 133.0 22.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 155.59 21.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 17.5 tpt180 175.88 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -38.56 141.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.624 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.8 t80 -70.79 86.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.89 -174.65 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -65.1 -44.31 89.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.1 mmt180 -56.82 -44.83 82.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 9.0 mtp-105 -51.7 -35.82 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -26.85 60.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 31' ' ' ARG . 55.9 mt -73.07 146.67 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -147.14 163.41 28.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.508 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.38 -34.44 0.38 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.49 -173.31 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 49' ' ' VAL . 66.3 t -136.03 155.91 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 49' ' ' VAL . 3.7 mt -125.45 112.63 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -92.03 119.57 31.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.992 ' HB3' HD21 ' A' ' 12' ' ' LEU . 13.4 m-85 -101.35 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.934 ' HG3' HD11 ' A' ' 12' ' ' LEU . 49.1 mt-10 45.51 32.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.69 -62.34 1.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 48' ' ' LYS . . . -166.55 26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -76.6 -36.47 57.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.857 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -144.43 113.07 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' CE ' ' HA2' ' A' ' 45' ' ' GLY . 8.7 mmtp -107.88 135.74 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.847 HG11 HG21 ' A' ' 15' ' ' ILE . 18.1 m -135.61 151.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 39' ' ' VAL . 32.1 ttm180 -127.62 121.48 30.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 36' ' ' PRO . 66.2 t -54.66 138.71 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 -42.06 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' CD1' HG12 ' A' ' 103' ' ' ILE . 2.0 tt -118.15 149.9 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 6.0 mtm180 -142.97 164.33 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG13 HG12 ' A' ' 101' ' ' VAL . 1.5 t -135.78 139.75 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 53.1 m-85 -132.29 178.73 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.02 -45.69 33.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.8 178.5 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 84.0 m-85 -61.29 -37.63 83.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -55.71 -56.97 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.97 -32.13 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.548 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 11.3 mtp -75.26 -43.12 53.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -73.16 -32.89 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -76.31 -45.4 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -80.63 -64.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -60.89 -51.44 69.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.625 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.62 126.14 2.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.935 HD11 HG21 ' A' ' 76' ' ' VAL . 18.6 tp -56.92 -60.25 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.82 -16.62 64.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ILE . 3.4 m-20 -89.41 11.28 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 22' ' ' ILE . 83.2 t -137.33 -58.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.766 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -111.05 98.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.478 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -75.08 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.53 -25.04 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.935 HG21 HD11 ' A' ' 69' ' ' LEU . 13.8 p -38.81 146.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -38.98 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -162.15 165.85 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.72 ' O ' HD12 ' A' ' 83' ' ' ILE . 34.5 mt -55.5 -44.41 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.51 79.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.84 73.13 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.409 1.068 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.4 mp -57.73 -35.9 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -60.21 -35.97 76.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 73' ' ' LEU . 1.3 t -65.15 -42.39 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 19.4 m-85 -72.96 -25.2 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 92' ' ' GLU . 1.3 tpp85 -74.55 -38.83 62.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -65.24 -44.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -80.14 -55.16 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -96.02 142.06 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.02 151.03 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 4.0 pt-20 -75.51 -25.56 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -55.63 6.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -44.79 86.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 8.1 tm-20 -62.35 -49.6 74.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 19.7 mmtt -57.34 -17.12 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -101.52 -55.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 123.83 -141.6 13.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.514 HG21 ' N ' ' A' ' 60' ' ' PHE . 1.8 t -123.92 124.51 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.624 HG21 ' HD1' ' A' ' 27' ' ' TYR . 10.6 m -106.19 107.05 21.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.06 97.84 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 101' ' ' VAL . 2.5 mt -93.51 123.16 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.34 108.44 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -110.8 158.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.598 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.5 mm-40 -145.45 112.86 4.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.769 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.94 119.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -94.67 145.21 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -136.49 128.61 29.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.621 ' CE ' HG21 ' A' ' 40' ' ' ILE . 4.4 mtt -131.11 -174.78 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.553 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -149.42 148.03 18.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.914 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -168.13 -178.86 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -73.69 155.26 39.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.79 -49.17 78.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.04 -33.41 62.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.914 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.27 -29.37 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.95 HD22 ' HB2' ' A' ' 47' ' ' LEU . 16.5 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.41 -30.81 70.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 14' ' ' LEU . 10.7 mt -59.12 -37.57 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.3 mp -60.98 -44.68 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' HD21 ' A' ' 47' ' ' LEU . 4.6 ttmt -67.24 -28.45 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.9 -48.02 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.66 3.97 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -69.05 -30.67 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -84.9 5.59 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 66.3 mmtt -126.23 -103.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.079 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -163.82 179.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.708 ' N ' HG23 ' A' ' 22' ' ' ILE . 8.7 tt0 -143.54 112.33 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -80.7 165.99 48.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER 170.27 110.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -38.78 135.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.663 ' HD1' HG11 ' A' ' 101' ' ' VAL . 2.1 t80 -71.23 86.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.1 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -72.88 -47.93 41.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -41.3 87.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -58.03 -52.2 66.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 13.2 ptm180 -64.97 -23.86 67.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.06 65.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.4 mt -75.19 147.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 163.05 53.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.77 51.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.02 -170.71 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 33.8 t -139.33 147.22 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -122.65 106.75 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 100.0 p -82.76 123.27 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.906 ' CD1' HD21 ' A' ' 7' ' ' LEU . 21.2 m-85 -97.21 149.57 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 40.91 42.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.99 -62.6 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -173.26 29.9 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.853 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -76.63 -40.36 49.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.95 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.53 116.01 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -108.03 137.74 45.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 107' ' ' PRO . 4.2 m -136.98 144.9 30.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -121.59 122.23 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 54.6 t -57.45 145.24 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.08 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -42.63 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.59 159.62 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.569 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -111.57 148.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.734 ' C ' HG23 ' A' ' 101' ' ' VAL . 5.8 mmt180 -148.42 113.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -95.31 146.55 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 34.3 m-85 -129.82 -177.57 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -46.43 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -156.86 167.36 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -59.63 -38.27 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.9 ttm180 -56.46 -37.04 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.69 -37.8 67.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.551 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 2.8 mtp -64.98 -49.72 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 69' ' ' LEU . 40.6 mt -65.93 -29.7 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.3 mm-40 -75.9 -43.74 43.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' MET . 5.8 mm-40 -60.11 -53.18 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.48 125.07 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.949 ' CD1' HG11 ' A' ' 76' ' ' VAL . 15.2 tp -53.36 -60.83 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.27 -9.33 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.472 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 1.5 m-20 -95.07 3.04 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.079 HG22 HG22 ' A' ' 22' ' ' ILE . 47.0 t -134.93 -46.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.969 HD23 ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.81 92.44 48.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.82 8.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 109.3 -26.98 13.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.969 ' HB ' HD23 ' A' ' 73' ' ' LEU . 11.3 p -39.51 152.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -85.55 -37.44 19.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.449 ' H ' HG22 ' A' ' 76' ' ' VAL . 15.0 t -168.79 171.47 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.1 mt -58.3 -38.91 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -46.79 78.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.51 -40.71 97.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -46.28 60.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -58.65 -39.84 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.11 -38.15 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.72 -45.03 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.786 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 11.5 m-30 -65.32 -32.9 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.32 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -53.28 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -76.33 -49.69 16.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.559 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -101.65 143.74 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 142.21 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -30.94 67.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.39 -52.88 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -38.84 87.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.563 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -64.97 -53.24 49.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -65.51 -15.26 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -74.54 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.34 -55.01 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.31 -154.13 19.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.757 HG11 ' CD1' ' A' ' 60' ' ' PHE . 1.6 t -120.83 151.35 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.734 HG23 ' C ' ' A' ' 55' ' ' ARG . 4.9 p -137.65 116.53 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.36 98.64 11.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.569 ' CG2' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -89.44 133.1 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -89.5 107.94 19.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.587 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -103.71 158.08 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.786 ' O ' HD23 ' A' ' 108' ' ' LEU . 2.8 pt-20 -137.86 101.05 8.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.792 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.04 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -149.23 139.03 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -116.37 169.1 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 1.9 mtm -174.08 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.46 140.29 18.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -165.11 -178.97 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.34 155.81 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' HG3' ' CE ' ' A' ' 46' ' ' LYS . 12.8 tt0 -62.44 -40.27 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 -36.86 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.659 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -72.68 -30.3 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.022 HD22 ' CB ' ' A' ' 47' ' ' LEU . 54.3 mt -68.1 -48.56 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.883 ' O ' HD12 ' A' ' 17' ' ' LEU . 34.2 tt0 -56.25 -29.29 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' HG2' ' A' ' 74' ' ' PRO . 12.9 mt -66.36 -43.86 84.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.794 HD12 HH11 ' A' ' 18' ' ' ARG . 1.0 OUTLIER -56.65 -38.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -65.59 -31.7 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -82.44 -19.61 38.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.794 HH11 HD12 ' A' ' 15' ' ' ILE . 9.0 mtt180 -80.68 0.4 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -73.1 -22.61 60.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -3.85 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 3.3 mttt -113.7 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.024 ' CG2' HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -168.04 175.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.667 ' N ' HG23 ' A' ' 22' ' ' ILE . 4.5 tt0 -142.36 108.22 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -77.42 179.49 50.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 158.48 135.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -59.4 142.36 52.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.688 ' N ' HD12 ' A' ' 26' ' ' LEU . 13.8 t80 -75.48 68.56 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.46 -166.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.6 mt-10 -76.23 -44.12 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -67.13 -41.13 86.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -51.65 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 12.9 ptm180 -63.71 -28.16 69.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -29.49 60.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.709 ' CG2' HG21 ' A' ' 51' ' ' VAL . 83.8 mt -72.18 123.66 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 161.64 22.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 86.86 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.56 -30.91 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.45 -171.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.0 t -139.92 146.18 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 49' ' ' VAL . 6.3 mt -120.5 102.29 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -80.19 147.69 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.862 ' HB3' HD21 ' A' ' 12' ' ' LEU . 19.7 m-85 -128.19 133.9 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 56.07 38.22 29.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -63.06 2.38 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.34 28.59 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.524 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.12 -37.3 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.022 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -139.39 112.25 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 9.4 mmtm -105.59 131.95 52.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 107' ' ' PRO . 17.1 m -133.79 151.21 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' HB2' HG22 ' A' ' 39' ' ' VAL . 31.1 ttt180 -129.05 116.49 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 ' CG2' ' A' ' 34' ' ' ILE . 95.4 t -46.12 123.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -47.93 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.84 148.66 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.362 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.73 141.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.821 ' O ' HG23 ' A' ' 101' ' ' VAL . 6.6 mmt85 -143.77 144.57 31.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.35 145.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 48.3 m-85 -133.16 -178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -75.93 -46.16 31.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -160.13 176.76 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD1' HG11 ' A' ' 100' ' ' VAL . 65.6 m-85 -61.52 -39.26 90.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.8 tpp85 -56.13 -48.83 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.47 -33.13 74.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.542 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 8.9 mtp -72.08 -50.2 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 69' ' ' LEU . 21.6 mt -70.5 -27.11 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' OE2' ' CD1' ' A' ' 79' ' ' ILE . 15.5 mm-40 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -54.87 -47.27 74.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 121.99 128.3 3.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.811 HD11 HG11 ' A' ' 76' ' ' VAL . 16.1 tp -61.45 -59.92 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.59 -11.06 57.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 4.4 m120 -94.36 8.68 41.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.024 HG22 ' CG2' ' A' ' 22' ' ' ILE . 92.7 t -136.18 -54.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.92 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -118.55 93.21 45.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 116.28 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.05 -25.51 8.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.92 ' HB ' HD23 ' A' ' 73' ' ' LEU . 5.8 p -39.5 153.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.55 -34.3 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m -171.43 166.57 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.726 ' O ' HD12 ' A' ' 83' ' ' ILE . 20.1 mt -53.44 -43.34 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -43.77 98.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -38.34 90.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.51 -48.85 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.726 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mp -58.57 -40.54 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.09 -38.18 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.78 -50.58 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.659 ' HE2' HD11 ' A' ' 64' ' ' LEU . 19.5 m-85 -66.06 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -73.53 -30.88 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.88 -53.41 56.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -79.22 -49.49 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.58 142.48 27.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.51 145.09 54.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.79 -27.67 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.92 -54.46 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.37 77.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 2.0 tm-20 -64.5 -49.43 71.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -63.8 -14.38 52.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -75.23 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -97.36 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.29 -155.63 20.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.8 t -112.68 155.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 55' ' ' ARG . 3.3 p -135.86 108.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 22' ' ' ILE . . . -80.93 98.08 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.473 HG13 HG22 ' A' ' 101' ' ' VAL . 2.9 mp -95.29 113.0 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.54 106.88 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.918 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -97.56 147.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.49 108.49 3.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.607 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 120.69 6.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -112.26 146.93 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 159.73 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.38 -175.59 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.719 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -157.3 140.43 7.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -171.39 146.76 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.23 144.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.91 -35.49 66.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.19 -33.27 75.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -75.25 -26.34 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.013 HD22 ' CB ' ' A' ' 47' ' ' LEU . 18.4 mt -68.73 -51.09 45.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -25.64 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 mt -68.0 -36.57 80.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.7 mp -60.72 -41.3 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 3.5 ttmt -67.32 -50.86 58.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -46.67 87.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -78.29 4.57 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -68.96 -29.16 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.16 9.55 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.8 mttt -128.85 -107.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.66 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -161.5 173.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.604 ' N ' HG23 ' A' ' 22' ' ' ILE . 9.2 tt0 -141.49 108.35 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -77.02 176.0 53.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER 161.24 100.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -36.46 123.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -55.87 158.51 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.09 -174.0 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.89 -49.25 68.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -47.21 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.52 -37.79 87.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.59 -36.22 66.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 31' ' ' ARG . 77.1 mt -72.67 129.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 160.49 66.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.92 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.72 47.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.91 -170.48 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -136.02 141.1 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.82 130.1 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.31 139.29 34.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.798 ' CD1' HD21 ' A' ' 7' ' ' LEU . 24.6 m-85 -120.08 147.61 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' PHE . 23.4 mm-40 38.04 40.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 -62.66 1.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.8 30.36 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.17 -40.06 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.013 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -134.84 116.86 15.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.7 mmtp -110.53 126.5 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 107' ' ' PRO . 4.8 m -127.9 163.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.641 ' HB2' HG22 ' A' ' 39' ' ' VAL . 3.3 ttm180 -135.11 118.87 17.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.89 141.21 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.72 -42.7 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.3 163.65 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.753 HD12 HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -118.28 144.74 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -141.91 155.61 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.735 HG13 HG12 ' A' ' 101' ' ' VAL . 1.8 t -135.07 139.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 29.2 m-85 -129.7 -179.35 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.69 -45.72 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -159.28 167.12 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.785 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -56.99 -34.83 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.4 tmm_? -56.93 -38.61 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.0 -36.08 66.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.653 ' SD ' HG12 ' A' ' 100' ' ' VAL . 4.5 mtp -70.75 -48.58 53.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD11 ' HE2' ' A' ' 86' ' ' TYR . 14.5 mt -67.63 -30.72 70.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 11.1 mm-40 -76.28 -50.15 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.12 -65.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -56.88 -50.71 71.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 128.67 129.82 3.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 76' ' ' VAL . 17.0 tp -63.85 -59.85 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.806 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.54 -13.95 62.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 2.6 m-20 -93.46 11.9 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 68' ' ' GLY . 86.0 t -137.94 -49.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.812 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.04 93.73 43.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.95 -34.86 3.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 69' ' ' LEU . 9.9 p -38.56 148.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -83.37 -38.7 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -161.86 167.23 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 69' ' ' LEU . 54.8 mt -55.81 -35.08 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -49.25 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.74 -37.54 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.427 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -52.9 -46.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.543 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 6.6 mt -62.07 -38.57 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -60.43 -36.34 77.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.785 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 8.8 m-30 -68.2 -20.91 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -43.43 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.93 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -111.46 156.04 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.54 143.92 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.43 -32.8 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.06 -54.67 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.847 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.9 tm-20 -63.16 -53.17 57.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -13.92 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.2 -58.94 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -99.99 -54.51 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.23 -164.78 18.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.728 HG21 ' N ' ' A' ' 60' ' ' PHE . 3.6 t -100.39 151.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.735 HG12 HG13 ' A' ' 56' ' ' VAL . 17.2 m -137.02 106.78 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.569 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -80.09 98.84 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.753 HG12 HD12 ' A' ' 54' ' ' ILE . 2.1 mp -94.16 139.08 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.7 tt0 -95.09 116.23 28.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -111.58 158.21 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.14 102.25 7.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.684 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.98 98.65 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 108' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.446 ' HB2' HG23 ' A' ' 40' ' ' ILE . 19.5 m95 -110.65 158.87 18.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.51 153.09 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.443 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.8 mtm -159.34 158.78 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.61 55.45 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.723 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 2.2 pt? -75.48 171.09 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.52 ' O ' HD13 ' A' ' 12' ' ' LEU . 13.0 mt-30 -58.32 149.73 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -65.52 -41.54 93.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.26 -36.02 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.624 ' HB3' HD12 ' A' ' 7' ' ' LEU . 1.7 m-85 -71.16 -41.17 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 47' ' ' LEU . 10.7 mp -50.6 -39.77 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.748 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -70.73 -24.55 62.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 14' ' ' LEU . 13.2 mt -74.76 -42.35 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.452 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -56.41 -35.87 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HE2' HD21 ' A' ' 47' ' ' LEU . 1.6 ttmt -65.06 -28.82 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -85.29 -24.46 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HB2' HD11 ' A' ' 105' ' ' ILE . 1.6 mtt180 -76.79 1.37 17.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -71.23 -11.92 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -3.31 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -117.33 -112.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.982 ' CG2' HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -167.21 -167.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.762 ' N ' HG23 ' A' ' 22' ' ' ILE . 17.5 tt0 -148.92 127.23 12.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.38 143.24 16.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . 4.7 tpp180 177.59 105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.12 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.732 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.5 t80 -75.36 93.05 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.07 178.74 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.31 -41.23 96.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -47.39 76.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -56.97 -39.63 74.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 27' ' ' TYR . 3.7 ttt180 -54.36 -46.28 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -21.62 59.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.545 ' CG2' HG21 ' A' ' 51' ' ' VAL . 28.4 mt -70.68 149.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 161.19 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.79 -28.45 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 8.5 m-20 -75.08 -178.2 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 50' ' ' ARG . 35.6 t -138.86 151.56 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.446 HG23 ' HB2' ' A' ' 3' ' ' TRP . 1.3 mp -124.96 127.84 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.6 OUTLIER -93.24 123.93 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 40.7 m-85 -107.13 139.66 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 47.51 43.18 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.31 -63.98 2.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.03 28.24 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -76.89 -36.95 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.709 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.68 126.37 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.67 130.61 51.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 107' ' ' PRO . 12.3 m -130.18 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.579 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -123.25 118.07 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.545 HG21 ' CG2' ' A' ' 34' ' ' ILE . 85.2 t -44.71 118.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -50.05 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.35 152.96 17.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.608 HD12 HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -109.14 143.55 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 1.1 mmm180 -140.38 153.4 46.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 101' ' ' VAL . 16.6 t -126.77 140.75 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 32.8 m-85 -132.98 173.22 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -75.19 -43.24 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 176.35 12.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.678 ' CD1' HG11 ' A' ' 100' ' ' VAL . 2.6 m-85 -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.5 tpp85 -56.49 -45.62 80.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.63 -31.06 71.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.753 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 2.5 mtp -75.42 -49.23 19.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 69' ' ' LEU . 8.1 mt -72.1 -30.22 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.1 mm-40 -75.32 -44.61 44.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -83.39 -64.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.8 OUTLIER -60.64 -53.32 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.725 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 127.71 128.14 3.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 76' ' ' VAL . 12.0 tp -58.36 -59.3 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -66.4 -9.83 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.571 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.3 m-20 -95.68 10.05 38.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.982 HG22 ' CG2' ' A' ' 22' ' ' ILE . 48.5 t -137.42 -50.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.827 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -119.83 97.74 49.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 112.49 -17.17 23.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 69' ' ' LEU . 5.3 p -39.33 152.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.69 -32.75 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.589 ' H ' HG22 ' A' ' 76' ' ' VAL . 3.7 m -175.96 168.29 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' N ' HD22 ' A' ' 69' ' ' LEU . 16.5 mt -56.22 -44.29 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -42.44 92.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.16 -38.1 85.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.21 -47.88 71.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.49 -42.87 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.95 -38.82 68.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.01 -54.62 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.68 ' HE1' HD13 ' A' ' 73' ' ' LEU . 4.9 m-30 -60.86 -22.99 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -48.72 23.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -71.03 -23.15 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.1 m-85 -88.74 -55.26 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -103.58 154.18 19.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 144.85 48.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.56 -44.4 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.58 74.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.69 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -64.5 -53.6 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -21.44 66.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -59.75 3.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -99.35 -55.46 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.88 -122.26 3.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.678 HG11 ' CD1' ' A' ' 60' ' ' PHE . 3.1 t -140.28 144.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.83 ' O ' HD12 ' A' ' 103' ' ' ILE . 4.8 m -135.36 107.15 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.753 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -76.23 97.5 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 101' ' ' VAL . 2.8 mp -88.94 123.8 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE1' HD11 ' A' ' 22' ' ' ILE . 5.9 tt0 -76.89 106.29 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.968 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.1 pp -103.12 134.75 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.16 111.23 9.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.597 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 116.34 4.56 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -100.5 148.57 24.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -135.48 119.16 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.477 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -124.65 118.72 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.73 61.08 4.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.809 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -74.6 158.05 34.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.3 142.29 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.5 -48.51 65.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.77 -37.14 59.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.898 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -69.52 -40.87 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.02 HD23 ' HB2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -50.34 -34.72 24.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.58 -30.89 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' C ' ' HD2' ' A' ' 18' ' ' ARG . 13.9 mt -61.45 -45.58 93.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.941 HG22 ' HG3' ' A' ' 107' ' ' PRO . 4.8 mp -56.05 -37.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -32.72 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.27 -25.69 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 72' ' ' VAL . 9.5 mtt-85 -76.49 1.38 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.4 -12.03 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -2.3 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 20.8 mttt -115.05 -114.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.172 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.027 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.3 174.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' HD12 ' A' ' 105' ' ' ILE . 6.1 tp10 -154.45 99.38 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.49 172.17 16.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HD3' HD12 ' A' ' 103' ' ' ILE . 0.0 OUTLIER 177.08 145.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.863 HD13 ' HA ' ' A' ' 95' ' ' GLU . 2.7 tp -40.21 117.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 3.6 t80 -63.77 90.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.45 -165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.96 -44.75 60.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.1 -42.39 98.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.818 ' HA ' HD12 ' A' ' 34' ' ' ILE . 4.3 mmp_? -62.74 -34.27 76.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 11.6 ttt180 -57.08 -43.27 81.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -27.8 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 31' ' ' ARG . 67.3 mt -70.35 135.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -146.41 163.24 30.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 102.82 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.81 -34.22 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.22 -178.74 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' A' ' 50' ' ' ARG . 79.4 t -137.08 146.34 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -119.47 124.34 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.53 103.07 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.809 ' CD1' HD21 ' A' ' 7' ' ' LEU . 19.8 m-85 -81.2 135.47 35.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.749 ' HG3' HD11 ' A' ' 12' ' ' LEU . 36.3 mt-10 55.76 41.26 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.3 -60.19 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.69 29.52 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.777 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -75.95 -40.35 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.02 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -140.57 112.66 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 1.4 mmmm -98.89 139.27 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -141.5 148.26 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.763 ' HB2' HG22 ' A' ' 39' ' ' VAL . 17.1 ttt-85 -127.86 114.01 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 36' ' ' PRO . 65.6 t -44.61 141.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 -41.39 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.88 158.04 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 103' ' ' ILE . 7.4 tt -118.04 149.74 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 15.7 mmt180 -142.35 161.38 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.631 HG22 HG12 ' A' ' 101' ' ' VAL . 4.1 t -133.43 143.4 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 36.2 m-85 -133.16 178.61 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -45.39 38.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 170.59 21.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.785 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.3 m-85 -60.82 -37.29 81.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -44.57 82.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.02 -40.53 95.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.92 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 1.7 mtp -62.86 -50.1 72.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -66.66 -31.42 72.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.26 -37.44 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -65.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 mm-40 -63.28 -54.37 38.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.97 122.47 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.936 ' CD1' HG11 ' A' ' 76' ' ' VAL . 8.8 tp -52.52 -59.78 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.96 -17.51 64.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.411 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 68.7 m-20 -95.28 14.61 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 22' ' ' ILE . 45.3 t -139.76 -46.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.882 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -129.32 96.24 28.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.72 8.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 113.97 -32.22 6.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.936 HG11 ' CD1' ' A' ' 69' ' ' LEU . 11.2 p -39.79 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -85.74 -34.78 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.43 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.9 m -169.0 166.64 11.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.717 ' O ' HD12 ' A' ' 83' ' ' ILE . 69.5 mt -52.82 -39.39 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.22 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -38.21 86.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.77 -50.39 65.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -54.94 -39.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.69 -38.34 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -65.18 -40.03 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 10.2 m-85 -74.91 -24.83 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.7 -45.64 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 16.3 ptp180 -66.88 -36.82 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.8 m-85 -77.85 -53.25 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -108.87 146.53 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.31 147.38 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.65 -37.59 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -50.23 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.28 -41.22 75.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.863 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.17 -52.85 52.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -65.34 -15.81 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -59.28 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.52 -54.2 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.01 -147.71 17.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.754 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.2 t -124.38 153.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.631 HG12 HG22 ' A' ' 56' ' ' VAL . 10.9 m -137.29 107.04 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.92 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -79.01 97.5 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.522 HD12 ' HD3' ' A' ' 25' ' ' ARG . 2.2 mp -88.69 135.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.4 tt0 -94.45 111.59 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -106.27 174.34 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.568 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -162.18 100.21 1.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.941 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.98 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -87.29 154.62 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.54 127.68 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.46 179.1 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.27 49.86 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.714 HD21 ' CD1' ' A' ' 42' ' ' PHE . 1.7 pp -75.38 179.57 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.684 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.61 153.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 12' ' ' LEU . 11.7 tt0 -67.98 -42.76 80.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.7 -33.7 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.8 m-85 -74.83 -28.83 60.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.971 HD22 ' CB ' ' A' ' 47' ' ' LEU . 93.5 mt -63.65 -51.64 64.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.631 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.3 pt-20 -54.67 -24.81 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD22 ' HG2' ' A' ' 74' ' ' PRO . 16.5 mt -75.46 -42.29 53.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' CG2' ' HG3' ' A' ' 107' ' ' PRO . 1.1 mp -56.47 -39.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.82 -29.48 70.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 13' ' ' GLU . 1.4 mt -85.49 -25.96 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 2.5 mtt180 -75.06 -1.18 21.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.92 -6.32 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -102.89 -25.89 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.967 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -125.42 -116.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.967 HD13 ' O ' ' A' ' 21' ' ' LYS . 1.4 mm -145.67 -149.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.701 ' H ' HG22 ' A' ' 22' ' ' ILE . 3.3 pt-20 -152.15 -173.47 4.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -125.76 155.91 19.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 160.27 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -61.82 151.52 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.686 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.9 t80 -75.53 90.95 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.88 -165.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -76.62 -52.97 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -38.02 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' NH2' HG12 ' A' ' 103' ' ' ILE . 4.9 mmm180 -65.65 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -33.75 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.77 -36.12 83.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' HG21 ' A' ' 51' ' ' VAL . 45.5 mt -74.26 148.49 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -147.15 175.42 2.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.06 83.78 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.27 53.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.18 176.2 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -136.13 150.17 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.62 123.43 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -96.98 104.2 16.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.714 ' CD1' HD21 ' A' ' 7' ' ' LEU . 45.8 m-85 -79.54 144.1 34.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.752 ' HG3' HD11 ' A' ' 12' ' ' LEU . 1.7 mm-40 45.55 49.14 11.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.17 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.89 29.26 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -39.58 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.971 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -140.11 119.0 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 10.7 mmtp -105.87 145.5 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 39' ' ' VAL . 28.3 m -146.98 155.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.671 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -133.41 126.99 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.495 HG21 ' CG2' ' A' ' 34' ' ' ILE . 18.8 t -59.65 133.22 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.79 -45.59 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.29 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 tt -102.88 149.12 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.1 mmt180 -147.44 126.07 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.4 t -109.32 143.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 35.2 m-85 -128.82 179.55 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.19 -45.6 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.06 173.39 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CD1' HG11 ' A' ' 100' ' ' VAL . 1.9 m-85 -64.65 -39.91 94.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.63 -35.51 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -73.49 -36.44 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.775 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.1 mtp -66.81 -49.53 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.617 HD21 ' OH ' ' A' ' 86' ' ' TYR . 27.0 mt -67.57 -29.89 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.5 mm-40 -75.74 -43.59 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.744 ' OE1' ' HB1' ' A' ' 102' ' ' ALA . 1.8 mt-10 -59.78 -53.1 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 128.04 120.82 2.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.89 ' CD1' HG11 ' A' ' 76' ' ' VAL . 13.0 tp -49.59 -60.61 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.42 -20.3 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.06 11.93 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 68' ' ' GLY . 75.4 t -137.2 -51.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.961 HD23 ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.58 95.5 48.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.561 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.97 115.24 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.49 -29.39 5.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.961 ' HB ' HD23 ' A' ' 73' ' ' LEU . 9.9 p -40.04 151.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -85.39 -39.06 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -167.08 166.11 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.541 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.7 mt -53.31 -38.33 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -49.87 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.93 -36.83 80.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.44 -47.3 69.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.513 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.2 mt -60.22 -38.29 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -61.23 -37.73 84.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.08 -40.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.677 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.3 m-30 -70.08 -31.24 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -33.23 62.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -45.28 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.76 -54.27 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.75 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -94.02 147.05 23.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.21 149.99 38.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -30.91 60.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -51.53 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -44.39 86.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER -62.99 -53.14 58.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -16.7 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -71.74 -59.29 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.77 -54.71 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.31 -167.32 21.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.719 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.2 t -104.97 151.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.734 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.5 p -137.65 108.31 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.775 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -77.81 97.71 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.44 HG12 ' NH2' ' A' ' 31' ' ' ARG . 2.9 mt -84.03 133.5 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.619 ' HA ' HG23 ' A' ' 22' ' ' ILE . 52.3 tt0 -89.59 106.27 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.771 ' O ' HD12 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -99.38 153.5 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -145.3 100.55 4.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 18.1 Cg_endo -75.04 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' SER . 53.1 m95 -121.2 152.92 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -141.22 163.85 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.1 mtm -159.57 -168.73 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.58 138.74 6.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -165.86 168.43 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -64.95 160.04 21.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.73 -46.58 81.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 3.5 mt-10 -54.36 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.694 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -63.74 -41.08 98.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.1 pt-20 -70.64 -32.16 69.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -52.54 -45.52 66.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 11' ' ' PHE . 3.5 mp -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HE3' HD23 ' A' ' 47' ' ' LEU . 6.1 mttt -52.53 -34.51 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.41 -21.32 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 23' ' ' GLU . 10.3 mtt180 -74.27 0.34 14.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -71.6 -11.96 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 2.37 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 26.3 mttm -120.46 -115.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.065 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -168.14 173.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' HD12 ' A' ' 105' ' ' ILE . 59.4 tt0 -143.6 111.3 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.69 165.38 21.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 6.8 ttm180 176.09 120.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -37.86 127.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' N ' HG12 ' A' ' 101' ' ' VAL . 4.5 t80 -65.41 106.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -160.97 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.54 -40.22 50.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.99 -39.41 90.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.737 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.5 mmp_? -66.18 -30.57 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.75 -35.93 81.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -26.2 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 31' ' ' ARG . 76.5 mt -70.25 134.58 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -145.98 171.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.19 53.79 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.96 175.12 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 49' ' ' VAL . 16.7 t -134.43 139.36 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.419 ' HB ' HG22 ' A' ' 49' ' ' VAL . 8.0 mt -111.92 144.23 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' MET . 1.9 t -111.6 147.67 34.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HD21 ' A' ' 12' ' ' LEU . 22.9 m-85 -128.66 131.19 48.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 12' ' ' LEU . 12.9 mm-40 58.57 36.86 25.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.16 -62.52 2.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.46 30.92 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -33.8 61.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.603 ' HB3' HD23 ' A' ' 12' ' ' LEU . 1.3 tm? -151.92 122.22 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 1.1 mmtp -109.56 143.94 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.656 HG11 HG21 ' A' ' 15' ' ' ILE . 11.8 m -131.79 158.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -128.3 119.46 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.28 137.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.8 -43.73 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.6 176.42 7.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.406 HG13 HG22 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -124.11 145.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.848 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.8 mtp180 -143.56 142.58 31.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.56 142.45 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.525 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 21.5 m-85 -131.12 -176.49 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.72 -45.03 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.6 t -155.28 169.14 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.803 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.73 -37.4 84.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.56 -36.27 69.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.99 -37.85 66.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.668 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.9 mtp -69.67 -46.97 64.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.715 HD11 ' HE2' ' A' ' 86' ' ' TYR . 2.3 mt -68.96 -30.18 68.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.0 mm-40 -75.35 -43.33 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -64.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.53 -52.46 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.89 126.41 2.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.867 ' CD1' HG11 ' A' ' 76' ' ' VAL . 15.0 tp -58.29 -58.82 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.39 -13.24 60.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 2.4 m-20 -95.33 11.61 32.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.065 HG22 HG22 ' A' ' 22' ' ' ILE . 54.6 t -140.27 -47.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.817 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -123.44 92.52 48.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.34 4.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 123.57 -32.28 4.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.867 HG11 ' CD1' ' A' ' 69' ' ' LEU . 7.8 p -39.07 149.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -84.9 -37.3 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.415 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.9 m -165.8 167.51 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 83' ' ' ILE . 28.3 mt -56.21 -38.48 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -46.26 83.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.54 -37.19 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.03 50.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -54.76 -41.18 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -38.09 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.69 -53.75 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.715 ' HE2' HD11 ' A' ' 64' ' ' LEU . 21.6 m-85 -61.17 -20.39 62.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -47.17 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -74.26 -26.19 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -87.24 -55.15 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -109.01 138.65 45.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 145.91 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -40.66 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -53.2 60.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.591 ' HA ' HD13 ' A' ' 26' ' ' LEU . 8.8 tt0 -64.8 -53.15 51.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -59.05 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -101.02 -54.93 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.62 -141.32 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.803 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.7 t -121.95 152.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.3 p -137.17 111.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.668 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -82.74 99.09 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -88.95 116.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.748 ' HG3' HD11 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -76.0 112.91 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -117.95 161.89 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.644 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -143.77 103.77 4.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.655 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.98 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' A' ' 40' ' ' ILE . 11.4 m95 -102.29 144.41 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.77 150.21 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.407 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 3.5 mtm -151.88 154.55 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.9 71.46 0.48 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.923 HD21 ' CG ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -75.72 -113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -163.13 160.09 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.4 -54.89 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.02 -41.97 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.1 -26.58 59.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.964 HD22 ' HB2' ' A' ' 47' ' ' LEU . 24.0 mt -65.68 -46.25 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -26.57 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 17' ' ' LEU . 12.1 mt -64.12 -43.11 96.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG21 HG11 ' A' ' 49' ' ' VAL . 1.6 mp -56.58 -45.62 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.46 -24.8 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 14' ' ' LEU . 29.7 mt -80.56 -49.01 11.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.11 3.35 10.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.4 OUTLIER -70.01 -29.68 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 9.05 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -131.23 -105.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.038 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -165.17 -179.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.712 ' N ' HG23 ' A' ' 22' ' ' ILE . 1.4 pp20? -143.15 139.33 30.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.41 150.71 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.8 tpt180 179.26 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -37.22 143.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.758 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.3 t80 -71.19 70.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.03 -179.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.54 -44.39 96.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -65.6 -48.74 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.2 tpt180 -57.01 -31.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 3.6 mtp180 -64.33 -39.88 94.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -75.42 -23.39 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 31' ' ' ARG . 88.4 mt -63.64 148.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 163.76 26.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.94 -27.34 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 72.6 m-20 -71.18 -179.51 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.569 HG22 ' HB2' ' A' ' 50' ' ' ARG . 61.6 t -136.77 144.81 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 3' ' ' TRP . 3.2 mt -121.17 101.32 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -78.22 146.92 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.923 ' CG ' HD21 ' A' ' 7' ' ' LEU . 14.8 m-85 -129.19 136.65 50.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.843 ' HG3' HD11 ' A' ' 12' ' ' LEU . 4.7 mm-40 52.35 43.76 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.69 -63.74 3.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.65 28.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -76.68 -36.07 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.964 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -141.61 112.38 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.3 mmtp -109.76 135.32 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG12 ' HB3' ' A' ' 107' ' ' PRO . 6.4 m -136.73 146.44 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.569 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -127.48 125.86 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.624 HG13 ' CG2' ' A' ' 103' ' ' ILE . 17.1 t -52.75 145.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.24 -40.25 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -163.19 160.82 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -116.53 149.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -142.07 160.33 40.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG13 ' CG1' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -135.02 139.47 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.539 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 24.0 m-85 -132.71 179.82 5.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -75.98 -46.28 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.76 168.64 25.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.726 ' CG ' ' CD2' ' A' ' 86' ' ' TYR . 2.4 m-85 -57.24 -37.74 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.627 ' HD3' HD11 ' A' ' 83' ' ' ILE . 6.2 tpp180 -55.68 -48.89 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -62.35 -30.16 70.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.539 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 12.9 mtp -75.81 -47.79 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD22 ' HA ' ' A' ' 69' ' ' LEU . 53.4 mt -68.48 -35.33 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.28 -46.0 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 9.6 ttpp -78.77 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' MET . 1.4 tm-20 -60.72 -50.6 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.91 124.4 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 HG21 ' A' ' 76' ' ' VAL . 17.4 tp -55.73 -60.69 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.45 -14.34 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.475 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 4.6 m-20 -91.99 6.37 46.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 22' ' ' ILE . 90.1 t -134.93 -46.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.016 HD23 ' HB ' ' A' ' 76' ' ' VAL . 3.8 tp -125.24 92.54 47.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.21 -28.88 5.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.016 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.2 p -39.92 149.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -85.41 -35.86 21.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.444 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 m -167.81 165.71 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.694 HG12 HD22 ' A' ' 69' ' ' LEU . 1.3 mm -52.99 -40.78 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -43.72 93.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -38.84 92.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.44 -50.68 58.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.627 HD11 ' HD3' ' A' ' 61' ' ' ARG . 6.4 mt -56.19 -38.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.55 -43.74 96.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.8 -36.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.726 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.7 m-30 -74.74 -26.46 59.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -39.77 59.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -61.1 -47.44 86.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.3 -54.24 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -99.78 149.15 23.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -71.84 150.78 43.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -34.55 61.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -51.48 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' CE ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.86 -41.86 71.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.5 tm-20 -64.93 -52.28 57.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -64.3 -14.44 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -56.03 5.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.77 -55.1 2.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.71 -141.37 12.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.3 t -131.39 155.28 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.758 HG21 ' HD1' ' A' ' 27' ' ' TYR . 3.0 m -136.92 106.78 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.49 98.01 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.624 ' CG2' HG13 ' A' ' 51' ' ' VAL . 2.1 mt -95.06 122.74 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 44.2 tt0 -82.37 106.74 14.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.539 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -99.2 159.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.591 ' O ' HD13 ' A' ' 108' ' ' LEU . 3.7 pt-20 -144.54 109.19 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.83 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.98 119.61 5.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -91.99 149.05 21.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.76 125.24 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 mtt -127.74 -170.2 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.736 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -151.47 150.56 22.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.026 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -174.73 161.09 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.59 138.85 17.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.82 -36.49 58.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.72 -34.39 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.729 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -73.55 -38.82 65.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.981 HD23 ' HB2' ' A' ' 47' ' ' LEU . 5.0 mp -53.91 -42.73 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -34.29 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.9 mt -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 mp -63.19 -47.79 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.913 ' HE2' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -66.71 -22.37 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.37 -47.56 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -77.22 3.27 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.2 pttm -70.1 -30.21 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.84 8.51 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 7.8 mttp -132.44 -104.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.033 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -162.99 179.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.709 ' N ' HG23 ' A' ' 22' ' ' ILE . 38.9 tt0 -143.58 112.05 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -89.68 152.27 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 179.38 108.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -36.94 132.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.742 ' HD1' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -65.86 163.76 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -168.43 -177.32 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.89 -50.35 73.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -57.88 -47.15 83.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.766 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -41.25 60.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.68 -25.78 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 31' ' ' ARG . 70.1 mt -74.74 125.54 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 166.73 24.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.84 49.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.15 -170.78 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 39.2 t -139.01 145.4 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -123.84 115.22 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 57.9 p -87.53 135.45 33.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.026 ' CD1' HD21 ' A' ' 7' ' ' LEU . 8.4 m-85 -112.15 120.01 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 16.4 mm-40 68.49 44.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.12 -63.91 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.79 28.87 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' HD22 ' A' ' 12' ' ' LEU . 4.2 tmtm? -76.61 -39.78 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.981 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.09 112.57 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 5.6 mmtp -105.01 131.01 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' HB3' ' A' ' 107' ' ' PRO . 3.4 m -129.12 157.32 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -130.6 116.08 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.404 HG21 ' CG2' ' A' ' 34' ' ' ILE . 90.1 t -48.58 134.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -44.36 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.81 172.31 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.786 HG13 HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -126.07 149.89 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -150.63 154.02 36.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 101' ' ' VAL . 45.0 t -130.8 145.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.541 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 26.4 m-85 -133.08 -178.26 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -46.29 29.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 167.87 29.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.825 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.66 -36.75 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -36.82 73.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -71.46 -32.46 68.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 67' ' ' GLU . 2.3 mtp -74.97 -50.22 17.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.535 HD22 HD12 ' A' ' 69' ' ' LEU . 1.2 mt -60.47 -31.59 70.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.26 -47.4 20.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.88 -67.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 63' ' ' MET . 65.6 mm-40 -58.27 -42.66 86.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 116.97 122.65 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.031 HD11 HG11 ' A' ' 76' ' ' VAL . 10.9 tp -52.72 -60.31 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.2 -11.74 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.493 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 30.6 m-20 -95.64 5.96 50.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.033 HG22 HG22 ' A' ' 22' ' ' ILE . 59.2 t -136.19 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.99 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -118.73 89.32 37.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 125.52 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.42 -35.7 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.031 HG11 HD11 ' A' ' 69' ' ' LEU . 5.4 p -38.6 152.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -85.36 -35.33 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 m -166.73 164.68 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.645 ' O ' HD12 ' A' ' 83' ' ' ILE . 28.9 mt -52.74 -37.05 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -47.6 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.73 -36.91 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.583 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -53.84 -49.68 57.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -55.74 -40.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.05 -40.57 77.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 73' ' ' LEU . 1.7 t -60.81 -40.59 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.795 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 19.1 m-85 -74.94 -20.64 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -46.45 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 8.6 ptp180 -69.92 -33.8 72.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 2.4 m-85 -82.49 -55.05 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -105.5 143.26 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -63.8 145.11 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.13 77.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.07 -53.33 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CD ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.74 -43.67 72.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.575 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.2 tm-20 -63.24 -52.51 61.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -19.55 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' GLU . 23.6 ttmt -67.82 -58.28 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.11 -55.58 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 126.78 -139.5 11.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.825 HG21 ' N ' ' A' ' 60' ' ' PHE . 3.0 t -128.31 154.44 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.862 HG12 HG22 ' A' ' 56' ' ' VAL . 30.1 m -137.34 106.63 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.494 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -80.45 98.57 7.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.786 HG22 HG13 ' A' ' 54' ' ' ILE . 6.1 pt -96.19 138.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.419 ' HA ' HD13 ' A' ' 22' ' ' ILE . 3.4 tt0 -95.49 122.58 38.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.788 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -111.87 176.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.429 ' O ' HD23 ' A' ' 108' ' ' LEU . 3.3 tp10 -160.78 102.62 1.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.521 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -75.03 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -113.8 155.95 24.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.971 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.09 128.76 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 7.3 mtt -130.84 176.44 8.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.53 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -142.18 137.02 7.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.067 HD21 ' CD2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -166.13 157.39 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -45.26 144.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.76 -37.79 74.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.7 -45.33 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.829 ' HB3' HD12 ' A' ' 7' ' ' LEU . 2.0 m-85 -62.52 -45.1 94.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 47' ' ' LEU . 7.5 mp -50.61 -47.56 58.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.5 mt -70.68 -31.79 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.521 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.6 mp -62.35 -41.99 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.0 -42.95 84.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -69.56 -48.12 61.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -76.59 4.31 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 1.6 pttt -69.3 -28.31 66.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 9.02 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 2.8 mttm -129.76 -101.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.778 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -163.22 176.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.681 ' N ' HG23 ' A' ' 22' ' ' ILE . 13.8 tt0 -142.38 76.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -51.75 172.23 0.27 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 159.43 117.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.19 135.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.7 t80 -74.7 107.82 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -102.52 -169.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.9 -43.27 75.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -45.73 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -63.37 -31.47 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 10.2 mtp180 -63.27 -40.83 98.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -22.83 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CG2' HG21 ' A' ' 51' ' ' VAL . 23.8 mt -70.6 141.18 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 171.97 5.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.33 55.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.3 177.84 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 50.7 t -136.31 150.45 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CG2' ' HG3' ' A' ' 5' ' ' MET . 5.2 mt -127.43 132.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -104.24 124.75 49.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 1.067 ' CD2' HD21 ' A' ' 7' ' ' LEU . 5.0 m-85 -101.24 126.08 47.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 64.84 41.34 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.74 -62.45 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.21 28.93 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' HD22 ' A' ' 12' ' ' LEU . 5.8 tmtm? -76.72 -39.42 51.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.824 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -130.5 117.16 19.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.6 mmtp -111.01 112.11 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.7 HG12 ' HB3' ' A' ' 107' ' ' PRO . 18.4 m -114.43 152.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -126.91 114.19 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 34' ' ' ILE . 72.4 t -50.01 130.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.27 167.01 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.67 149.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -151.81 144.97 24.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.758 HG13 HG12 ' A' ' 101' ' ' VAL . 3.0 t -125.27 141.81 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CG ' ' CG ' ' A' ' 63' ' ' MET . 24.9 m-85 -125.34 178.15 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -75.33 -45.6 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -158.9 158.56 33.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.809 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -52.6 -32.3 40.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -40.74 93.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.61 -28.02 63.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.972 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -75.43 -47.1 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -67.65 -33.98 76.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -76.23 -47.91 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -78.59 -65.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -56.85 -49.62 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.66 125.65 2.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.837 HD11 HG11 ' A' ' 76' ' ' VAL . 56.7 tp -53.59 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.52 -11.96 60.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 10.6 m120 -95.26 18.94 11.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 22' ' ' ILE . 55.7 t -146.8 -55.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.865 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -122.4 94.4 47.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.21 7.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.54 -31.22 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.865 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.5 p -38.93 150.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -84.92 -37.82 20.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -166.95 169.95 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.567 ' O ' HD12 ' A' ' 83' ' ' ILE . 3.1 mm -54.4 -39.09 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -49.53 75.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -53.2 -49.68 55.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mt -58.88 -42.5 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -56.04 -38.02 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.568 HG11 HD11 ' A' ' 73' ' ' LEU . 2.1 t -63.01 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.749 ' OH ' HD21 ' A' ' 64' ' ' LEU . 14.9 m-85 -75.28 -24.38 57.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -74.73 -43.03 57.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -63.66 -42.84 98.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.56 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 11.6 m-85 -82.53 -55.1 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -103.02 143.57 32.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.8 148.31 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 0.3 OUTLIER -74.23 -28.94 61.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -52.95 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.02 83.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.7 OUTLIER -62.1 -53.41 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -15.74 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -100.45 -54.56 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.14 -159.73 19.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.794 HG21 ' N ' ' A' ' 60' ' ' PHE . 1.7 t -113.77 153.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.758 HG12 HG13 ' A' ' 56' ' ' VAL . 31.4 m -137.46 114.64 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.972 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -87.8 98.67 11.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.553 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -95.94 127.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.15 108.83 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.629 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -101.82 163.13 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.675 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.4 tp10 -143.06 100.94 5.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.7 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -141.03 139.98 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -127.58 138.55 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 24.0 mtt -150.17 111.9 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.668 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -79.69 156.67 40.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.997 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -170.48 -179.12 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.751 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 157.77 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -39.3 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.14 -46.02 89.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.997 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.34 -29.1 70.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.002 HD22 ' HB2' ' A' ' 47' ' ' LEU . 79.8 mt -67.48 -51.08 55.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.99 -32.43 70.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.87 -45.67 93.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.497 HG21 HG11 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -56.39 -38.83 57.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.12 -28.35 69.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.9 -22.34 27.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CB ' HD11 ' A' ' 105' ' ' ILE . 3.3 mtt-85 -77.73 1.45 20.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -72.35 -11.67 60.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -127.29 3.71 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 35.1 mmtt -116.67 -113.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.036 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.16 173.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.626 ' N ' HG23 ' A' ' 22' ' ' ILE . 5.1 tt0 -144.15 125.45 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.51 165.82 22.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 ptm85 176.74 137.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.656 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -37.46 111.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -50.85 115.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.99 -175.94 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.91 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 2.3 tpp180 -58.76 -43.21 90.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 1.8 mtt180 -54.25 -40.87 68.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -25.27 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 51' ' ' VAL . 96.5 mt -74.76 141.14 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 162.59 55.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 98.86 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.08 -26.97 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.2 m-20 -75.6 -176.24 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 50' ' ' ARG . 96.5 t -136.75 145.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 51' ' ' VAL . 1.4 mp -124.17 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.453 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 46.8 t -94.2 136.02 34.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.689 ' HB3' HD21 ' A' ' 12' ' ' LEU . 16.0 m-30 -112.62 131.24 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' OE2' ' CA ' ' A' ' 6' ' ' GLY . 24.2 mm-40 58.22 49.67 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.07 -60.24 4.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.72 30.67 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HD2' HD13 ' A' ' 12' ' ' LEU . 3.4 tmtm? -76.03 -40.19 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.002 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.19 115.98 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.3 mmtp -109.46 126.65 53.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 107' ' ' PRO . 18.5 m -131.61 152.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.721 ' HB2' HG22 ' A' ' 39' ' ' VAL . 3.6 tmm_? -130.78 127.5 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' CG2' ' A' ' 34' ' ' ILE . 41.1 t -59.67 144.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -41.44 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.22 152.23 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.496 ' CG1' HG22 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -105.12 150.08 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 87.7 mtt180 -154.35 136.08 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 101' ' ' VAL . 41.4 t -116.04 147.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 41.2 m-85 -132.92 179.34 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -76.48 -45.48 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -154.65 171.14 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.765 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -62.77 -37.99 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.74 -43.62 80.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.2 -33.62 75.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.612 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -75.29 -47.75 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.897 HD22 HD12 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -71.07 -32.26 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.8 mm-40 -76.37 -45.27 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -82.94 -64.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.5 OUTLIER -59.89 -53.52 56.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.57 129.59 3.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.897 HD12 HD22 ' A' ' 64' ' ' LEU . 8.5 tp -63.12 -59.3 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -11.99 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.44 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 3.7 m120 -96.08 6.84 47.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.036 HG22 HG22 ' A' ' 22' ' ' ILE . 71.4 t -137.51 -51.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.956 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.0 OUTLIER -116.78 83.66 14.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.79 -35.9 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.956 ' HB ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -43.39 157.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -85.52 -31.64 22.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t -176.81 171.88 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -55.46 -33.43 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -52.15 56.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.49 -31.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.447 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -60.22 -45.59 95.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 1.6 mt -61.94 -27.85 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.04 -37.49 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.4 t -65.28 -34.38 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 2.5 m-30 -77.6 -14.48 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -75.69 -50.27 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 2.2 ptm180 -67.1 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 3.6 m-85 -87.48 -55.41 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.26 -161.7 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -153.25 174.31 14.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -76.44 -35.39 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -54.95 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.55 -47.59 73.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.566 ' CD ' HG22 ' A' ' 100' ' ' VAL . 5.5 tt0 -65.43 -51.21 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -56.82 -18.42 12.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -72.49 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -102.24 -55.55 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.09 -179.37 16.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.765 HG21 ' N ' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -98.74 122.24 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 27' ' ' TYR . 10.1 p -105.08 107.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.612 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -83.82 98.43 9.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.496 HG22 ' CG1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -96.8 134.54 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' A' ' 22' ' ' ILE . 2.9 tt0 -84.68 106.25 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.979 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -94.5 142.54 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -133.12 99.69 14.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.76 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.0 108.04 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -124.18 134.98 53.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.19 150.98 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.428 ' HE1' HG21 ' A' ' 40' ' ' ILE . 6.5 mtm -153.68 -178.93 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.55 147.42 17.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.4 pt? -172.57 171.91 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.93 162.29 4.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 12' ' ' LEU . 2.4 tt0 -65.54 -42.13 92.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.74 -36.3 82.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -71.38 -27.78 63.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.893 HD13 ' HG2' ' A' ' 46' ' ' LYS . 2.2 mt -64.35 -43.93 93.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.28 -30.2 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 5.9 mt -52.6 -33.98 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.689 HG21 HG11 ' A' ' 49' ' ' VAL . 1.8 mp -65.8 -46.61 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -25.67 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.01 -46.97 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HD2' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -76.98 4.25 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.8 pttp -68.89 -29.56 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -85.66 5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.4 mttt -126.78 -107.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.831 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -163.65 179.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.711 ' N ' HG23 ' A' ' 22' ' ' ILE . 46.7 tt0 -143.15 116.7 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 154.71 21.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 178.88 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -37.23 133.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.63 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.1 t80 -65.74 77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.25 -165.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 2.1 mt-10 -75.23 -51.79 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -36.13 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NH1' HD11 ' A' ' 103' ' ' ILE . 3.0 mmt180 -61.14 -49.78 75.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 8.1 ptp180 -64.68 -24.13 67.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -74.44 -31.33 62.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.724 ' CG2' HG21 ' A' ' 51' ' ' VAL . 90.0 mt -74.94 124.31 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -119.01 165.84 15.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -74.98 79.35 2.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.23 49.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.21 -171.19 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.649 HG22 ' HB2' ' A' ' 50' ' ' ARG . 76.4 t -137.01 146.99 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.4 mt -119.14 148.92 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 44' ' ' GLY . 33.1 t -125.98 147.38 49.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.703 ' HB3' HD21 ' A' ' 12' ' ' LEU . 58.3 m-85 -126.29 136.53 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.821 ' HG3' HD11 ' A' ' 12' ' ' LEU . 7.3 mm-40 61.69 17.83 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.422 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 102.86 -55.75 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.28 27.18 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.893 ' HG2' HD13 ' A' ' 12' ' ' LEU . 16.3 tptt -71.67 -45.07 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 107' ' ' PRO . 1.4 tm? -149.19 119.16 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -102.92 143.45 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 HG21 ' A' ' 15' ' ' ILE . 34.5 m -137.45 169.79 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HB2' HG22 ' A' ' 39' ' ' VAL . 7.1 ttp85 -144.25 125.48 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.724 HG21 ' CG2' ' A' ' 34' ' ' ILE . 60.4 t -60.07 143.13 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -42.02 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.45 162.88 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.734 HG13 HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -121.16 148.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.03 147.5 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.783 HG13 ' CG1' ' A' ' 101' ' ' VAL . 2.1 t -123.37 146.5 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 49.7 m-85 -132.36 -178.97 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -76.11 -46.49 28.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 169.46 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.805 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -58.95 -36.26 74.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -55.9 -44.55 78.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.56 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.557 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 4.5 mtp -75.7 -47.34 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 69' ' ' LEU . 19.0 mt -69.52 -31.17 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.1 mm-40 -76.19 -49.35 17.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -80.69 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 3.9 tp10 -58.65 -50.75 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 126.6 127.71 3.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.035 HD11 HG21 ' A' ' 76' ' ' VAL . 16.8 tp -57.53 -60.02 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.23 -16.0 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.476 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 2.8 m-20 -91.94 13.04 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.831 HG22 HG22 ' A' ' 22' ' ' ILE . 87.9 t -138.07 -50.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.927 HD23 ' HB ' ' A' ' 76' ' ' VAL . 3.5 tp -124.48 98.86 37.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.87 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 114.55 -27.53 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.035 HG21 HD11 ' A' ' 69' ' ' LEU . 10.0 p -38.37 148.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -83.24 -37.3 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.425 ' H ' HG22 ' A' ' 76' ' ' VAL . 14.4 t -170.86 172.94 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.552 ' O ' HD12 ' A' ' 83' ' ' ILE . 33.5 mt -58.38 -38.62 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.09 84.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -38.92 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -44.8 60.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.8 mt -62.96 -33.57 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.27 -38.81 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.07 -40.9 90.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.805 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 6.8 m-30 -70.37 -33.25 71.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -34.63 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -61.69 -45.5 93.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.89 -54.42 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -91.14 146.98 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 141.92 46.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.58 -34.79 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -53.91 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -45.38 84.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tt0 -57.22 -52.31 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.42 -15.29 62.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -58.82 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -97.52 -55.2 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.9 -150.22 17.29 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.752 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.0 t -115.55 156.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.783 ' CG1' HG13 ' A' ' 56' ' ' VAL . 7.3 m -137.6 107.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.508 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -79.49 98.13 6.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.734 HG22 HG13 ' A' ' 54' ' ' ILE . 15.9 pt -101.33 133.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.0 tt0 -92.67 114.03 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.783 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -104.18 170.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.694 ' O ' HD13 ' A' ' 108' ' ' LEU . 3.2 tm-20 -144.58 103.44 4.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.667 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.01 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -140.22 147.09 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 107.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 2.7 tt0 -132.32 169.49 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' SER . 24.8 mmt -152.24 175.47 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.05 128.41 3.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.003 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.1 pt? -164.07 177.97 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 166.74 23.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.5 tt0 -73.0 -40.41 65.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.33 -35.38 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 1.003 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.91 -27.24 60.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.882 HD22 ' CB ' ' A' ' 47' ' ' LEU . 20.1 mt -62.85 -43.56 98.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.17 -35.98 70.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 ' HG2' ' A' ' 74' ' ' PRO . 21.9 mt -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.609 HG22 ' HG3' ' A' ' 107' ' ' PRO . 3.7 mp -58.66 -43.47 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -56.48 -31.03 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.83 -23.89 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 4.2 mtt180 -74.91 1.37 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.37 -27.73 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -109.78 -1.5 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 16.5 mttt -116.67 -116.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.087 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -168.71 178.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.693 ' N ' HG23 ' A' ' 22' ' ' ILE . 8.1 pt-20 -144.67 129.28 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.06 159.39 20.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 103' ' ' ILE . 0.6 OUTLIER 169.67 117.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.278 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -39.87 144.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.24 127.27 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -116.68 178.96 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.38 -34.89 73.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.65 -44.24 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.0 mmt180 -58.06 -41.85 84.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -50.79 -39.7 53.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.37 -29.39 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 31' ' ' ARG . 70.9 mt -69.39 150.28 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -146.22 163.12 31.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.95 95.44 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.59 -28.6 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -75.54 -172.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 49' ' ' VAL . 96.5 t -135.87 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mt -116.89 116.39 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 4.7 t -84.3 145.69 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.947 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.812 ' HB3' HD21 ' A' ' 12' ' ' LEU . 5.1 m-85 -125.17 131.4 53.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.61 43.4 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.71 -61.45 3.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.54 28.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.688 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -77.77 -39.45 44.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.882 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -132.61 116.39 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -106.56 138.65 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.809 HG12 ' HB3' ' A' ' 107' ' ' PRO . 1.8 m -139.94 161.26 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HB2' HG22 ' A' ' 39' ' ' VAL . 21.0 ttt180 -137.1 118.06 14.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.245 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 36' ' ' PRO . 39.5 t -48.46 145.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -41.66 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 155.68 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.28 144.6 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.844 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -145.1 147.0 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.1 t -122.66 145.73 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.77 ' CE1' ' HB3' ' A' ' 102' ' ' ALA . 16.1 m-85 -132.49 179.6 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -46.36 27.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.439 ' HA ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -159.16 -175.6 5.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.602 ' CD1' HG11 ' A' ' 100' ' ' VAL . 24.0 m-85 -70.23 -40.14 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HD3' HG22 ' A' ' 79' ' ' ILE . 10.5 tpp85 -55.6 -45.32 77.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -66.67 -41.39 88.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.715 ' CE ' ' HB2' ' A' ' 102' ' ' ALA . 13.3 mtp -61.37 -50.91 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -65.29 -30.73 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -83.49 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.6 mm-40 -61.4 -54.66 40.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.597 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 131.41 127.34 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.887 ' CD1' HG11 ' A' ' 76' ' ' VAL . 37.5 tp -51.79 -61.6 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.76 -12.48 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 36.8 m-20 -94.89 8.5 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.087 HG22 HG22 ' A' ' 22' ' ' ILE . 88.3 t -137.66 -49.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.976 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -125.88 94.87 41.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.551 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.97 127.94 11.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 110.07 -31.2 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.976 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.2 p -38.3 152.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -86.0 -35.7 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.7 m -168.83 168.67 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.559 HG22 ' HD3' ' A' ' 61' ' ' ARG . 27.4 mt -55.74 -40.35 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.54 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.34 -39.51 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.84 -44.69 61.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.8 mt -60.79 -41.96 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -55.12 -36.9 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 t -65.19 -48.01 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.683 ' CE1' HD13 ' A' ' 73' ' ' LEU . 12.7 m-85 -67.66 -22.17 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -47.69 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 2.6 ptm85 -69.61 -35.33 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.0 m-85 -76.1 -55.53 5.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.08 153.27 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.63 148.21 46.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -37.39 61.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -54.28 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -36.2 76.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.564 ' OE2' ' CZ ' ' A' ' 60' ' ' PHE . 9.6 tp10 -65.2 -54.04 35.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -15.68 62.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -59.01 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.04 -53.26 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.62 -124.77 4.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.602 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.3 t -144.96 150.66 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.8 p -136.33 107.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.77 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . . . -83.51 97.97 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.557 HG13 HG22 ' A' ' 101' ' ' VAL . 2.8 mt -89.95 125.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.29 106.68 15.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -99.8 162.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -138.17 93.49 11.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.809 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.543 0.211 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -139.64 141.84 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -111.51 141.38 45.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -131.01 138.59 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.495 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 7.4 mtt -151.24 -175.07 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.662 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -154.15 147.38 16.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.898 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -167.13 158.52 12.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -50.51 144.32 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -42.38 66.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.23 -36.19 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.706 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -74.18 -27.11 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.597 HD13 ' HD2' ' A' ' 46' ' ' LYS . 66.9 mt -65.93 -49.64 67.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.67 -34.22 61.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -56.4 -45.16 80.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -57.34 -37.57 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HE2' HD21 ' A' ' 47' ' ' LEU . 5.0 mtmt -65.53 -29.02 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.54 -18.5 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 4.7 mtt180 -84.29 1.15 46.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -10.46 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -130.09 6.7 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 24.9 mttt -125.7 -114.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.002 HG22 HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -166.98 172.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.621 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -143.27 114.73 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -85.12 173.01 48.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 158.46 104.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.3 133.66 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.797 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -59.03 129.3 41.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -126.03 -175.25 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.81 -51.24 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -39.45 86.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.7 tpp180 -64.41 -44.19 92.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -50.98 -38.14 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.03 -28.96 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 31' ' ' ARG . 79.8 mt -69.61 121.87 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.24 161.48 56.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 84.78 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.99 49.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.88 -166.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -139.04 148.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 51' ' ' VAL . 2.1 mt -122.14 113.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 1.2 m -89.89 127.6 36.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.898 ' CD1' HD21 ' A' ' 7' ' ' LEU . 28.8 m-85 -105.87 141.93 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 46.22 40.49 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.34 -62.64 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.3 29.51 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.597 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.615 HD21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -135.85 112.63 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 10.6 mmtp -102.82 133.55 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG11 HG21 ' A' ' 15' ' ' ILE . 32.7 m -136.91 153.82 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HB3' HD21 ' A' ' 108' ' ' LEU . 4.6 ttp180 -131.11 119.83 22.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 36' ' ' PRO . 61.0 t -50.64 138.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 -43.11 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.98 157.39 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.47 144.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -137.94 160.72 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.595 HG22 HG12 ' A' ' 101' ' ' VAL . 4.9 t -135.39 140.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CG ' ' HG2' ' A' ' 63' ' ' MET . 17.8 m-85 -133.12 -176.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -76.45 -46.28 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.54 ' HA ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -165.8 -178.61 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 95' ' ' GLU . 32.1 m-85 -60.58 -38.72 85.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 9.4 tpp180 -55.46 -52.88 62.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -65.44 -29.22 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.555 ' HG2' ' CG ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -72.9 -49.66 28.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.713 HD13 HD13 ' A' ' 69' ' ' LEU . 63.1 mt -71.97 -32.23 67.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 72.9 mt-10 -75.47 -43.71 47.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 19.5 ttmt -83.05 -64.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.1 tm-20 -61.45 -52.63 63.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.617 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 131.26 129.59 3.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.934 HD11 HG21 ' A' ' 76' ' ' VAL . 24.0 tp -60.89 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.49 -12.36 60.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' ILE . 3.0 m120 -92.91 6.3 48.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 22' ' ' ILE . 94.1 t -133.99 -52.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.788 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -117.58 95.61 47.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.23 -25.98 8.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.934 HG21 HD11 ' A' ' 69' ' ' LEU . 7.0 p -39.43 148.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -85.42 -35.1 21.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.443 ' H ' HG22 ' A' ' 76' ' ' VAL . 8.7 m -167.4 167.81 13.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 83' ' ' ILE . 58.3 mt -55.32 -44.09 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.88 99.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -38.79 92.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.75 -49.48 78.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -55.46 -41.92 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.39 -38.32 74.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.21 -41.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.713 ' CE1' HD13 ' A' ' 73' ' ' LEU . 18.0 m-85 -75.1 -25.15 58.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -43.78 51.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -66.36 -37.74 85.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.501 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 7.8 m-85 -83.77 -55.2 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -97.79 136.26 38.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.15 153.54 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.15 -35.81 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -55.11 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -45.4 77.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -58.88 -51.44 70.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -65.53 -20.31 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -66.99 -60.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -101.53 -55.46 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 133.06 -126.51 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 59' ' ' SER . 8.1 t -141.26 145.29 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.797 HG21 ' CD1' ' A' ' 27' ' ' TYR . 27.3 m -137.2 108.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -74.79 98.48 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.482 HD13 ' HD2' ' A' ' 31' ' ' ARG . 1.5 mp -85.22 107.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.52 114.23 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 105' ' ' ILE . 1.9 pp -112.54 148.95 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -144.64 107.84 4.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.97 118.4 5.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -100.74 51.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.11 -26.82 9.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -138.63 142.11 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -98.15 144.45 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.98 116.16 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 6.7 mtt -121.77 -175.04 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -151.97 150.66 22.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.957 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -174.7 178.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 155.6 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.22 -49.26 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.38 -34.04 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.957 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.23 -30.08 62.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.934 HD22 ' CB ' ' A' ' 47' ' ' LEU . 12.7 mt -65.79 -43.71 87.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -54.88 -35.46 64.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.61 -43.54 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.762 HG21 HG11 ' A' ' 49' ' ' VAL . 3.3 mp -59.04 -42.31 85.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -58.7 -29.75 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 -24.69 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 3.5 mtt180 -77.11 0.81 20.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -72.51 -13.25 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -126.32 2.58 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 16.4 mttt -123.04 -113.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.891 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.41 171.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.716 ' HB3' HD12 ' A' ' 105' ' ' ILE . 4.6 tt0 -143.23 92.86 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' CA ' ' HE1' ' A' ' 63' ' ' MET . . . -66.35 170.52 30.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.2 ttt180 171.64 114.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -39.41 135.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.544 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -69.24 89.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.29 -167.18 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.74 -47.37 39.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.69 -39.65 85.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.6 mmp_? -57.17 -37.8 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -40.66 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -29.04 67.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' ARG . 96.3 mt -68.14 142.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 164.27 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.34 2.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.01 -30.22 1.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -75.31 171.72 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -134.37 131.03 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.442 HD12 HG23 ' A' ' 49' ' ' VAL . 2.6 mt -100.88 128.62 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -104.29 118.22 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.915 ' HB3' HD21 ' A' ' 12' ' ' LEU . 38.5 m-85 -96.75 137.44 35.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.527 ' HG3' HD11 ' A' ' 12' ' ' LEU . 25.1 mt-10 53.7 36.69 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.42 -61.57 3.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.11 28.08 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.779 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -75.79 -39.63 56.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.934 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -140.71 115.92 9.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 4.0 mmmm -107.17 136.59 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 107' ' ' PRO . 27.1 m -136.4 153.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.629 ' HB2' HG22 ' A' ' 39' ' ' VAL . 4.8 ttp180 -129.68 116.56 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.38 146.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.69 -40.17 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -174.1 166.98 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.12 149.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 101' ' ' VAL . 25.4 mtt-85 -157.93 122.23 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.58 151.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 10.7 m-85 -133.22 -179.19 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.15 -46.59 27.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 163.6 37.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.917 ' CD1' HG11 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.7 -37.68 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -38.52 70.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.31 -28.25 61.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.573 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 9.3 mtp -75.74 -50.26 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.763 HD21 ' OH ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -63.63 -31.69 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.98 -45.61 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -76.83 -66.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 72.6 mm-40 -60.12 -49.28 78.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 125.94 126.9 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.997 ' CD1' HG11 ' A' ' 76' ' ' VAL . 19.4 tp -55.25 -59.4 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.06 -23.57 65.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.422 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 11.5 m120 -90.04 17.09 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.891 HG22 HG22 ' A' ' 22' ' ' ILE . 12.7 t -139.6 -48.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.844 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -129.43 96.94 26.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.44 4.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.91 -28.74 5.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.997 HG11 ' CD1' ' A' ' 69' ' ' LEU . 7.4 p -39.97 148.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -85.74 -36.11 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 m -168.36 164.97 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.73 -40.5 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -45.17 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.5 -39.63 94.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.93 -46.84 60.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -58.43 -41.74 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.5 -37.47 67.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 t -64.57 -48.86 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.763 ' OH ' HD21 ' A' ' 64' ' ' LEU . 13.3 m-30 -64.72 -21.85 66.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -75.59 -45.64 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -71.76 -32.06 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.401 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.77 -53.67 5.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.558 ' HB3' HD23 ' A' ' 26' ' ' LEU . 3.9 m-85 -111.32 146.4 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.83 145.72 55.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.468 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 42.9 tp10 -73.02 -38.01 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -53.78 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -42.19 78.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 17.0 tt0 -64.31 -52.95 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -16.47 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -74.62 -59.48 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.29 -55.47 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.5 -145.93 16.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.917 HG11 ' CD1' ' A' ' 60' ' ' PHE . 1.7 t -125.37 149.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.651 ' O ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -136.09 115.82 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.26 99.09 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -89.14 115.23 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 26.9 tt0 -74.91 110.44 9.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -105.31 165.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.855 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -145.79 97.24 4.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.838 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.855 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -98.43 84.07 3.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -126.24 -98.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tpt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.517 0.198 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -106.63 145.2 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -117.67 147.22 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.981 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' SER . 1.1 pm0 -140.31 144.63 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 9.5 mtt -148.03 136.67 21.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.38 140.62 15.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.904 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -164.98 173.52 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.796 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -74.95 162.67 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -67.23 -45.13 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -34.4 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.904 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.26 -28.26 59.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.993 HD22 ' CB ' ' A' ' 47' ' ' LEU . 67.5 mt -66.93 -49.13 66.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -54.68 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.78 -45.17 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.676 HD12 HH11 ' A' ' 18' ' ' ARG . 0.7 OUTLIER -58.23 -37.23 61.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' HD21 ' A' ' 47' ' ' LEU . 5.0 ttmt -64.77 -30.12 71.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -85.03 -22.61 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HB2' HD11 ' A' ' 105' ' ' ILE . 7.1 mtt180 -77.78 0.94 21.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -73.3 -9.29 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -131.86 7.23 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 30.6 mttt -124.54 -111.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.915 HG22 HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -166.75 170.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.578 ' N ' HG23 ' A' ' 22' ' ' ILE . 15.0 tt0 -146.02 98.61 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.623 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -96.83 -178.87 34.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 161.01 129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.869 HD13 ' HA ' ' A' ' 95' ' ' GLU . 3.2 tp -37.43 124.81 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.733 ' HD1' HG21 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -62.15 172.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -178.52 -176.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.28 -50.18 64.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -66.79 -38.91 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.9 -53.19 50.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.584 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 ptp180 -63.89 -15.64 59.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -66.58 -42.98 86.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.005 HG22 HG21 ' A' ' 51' ' ' VAL . 10.3 mt -75.13 124.25 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -115.23 173.48 2.9 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.4 2.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.47 50.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.33 -169.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 49' ' ' VAL . 42.4 t -139.3 150.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.72 HD11 HG23 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -126.2 96.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 55.5 p -76.49 124.8 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.688 ' HB3' HD21 ' A' ' 12' ' ' LEU . 17.1 m-85 -100.86 150.8 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HG3' HD11 ' A' ' 12' ' ' LEU . 14.4 mm-40 45.2 47.65 10.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.11 -61.76 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.14 27.42 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -77.0 -40.09 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 109.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.993 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -135.61 118.8 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -106.89 141.52 37.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 40' ' ' ILE . 27.3 m -141.96 155.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.536 ' NH1' HD21 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -133.61 121.15 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.005 HG21 HG22 ' A' ' 34' ' ' ILE . 96.3 t -54.71 141.79 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -41.49 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 159.68 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -114.7 147.59 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.09 151.93 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG13 HG12 ' A' ' 101' ' ' VAL . 3.2 t -129.48 140.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.5 m-85 -126.63 -178.7 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -45.81 32.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -158.02 166.09 33.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.787 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -57.34 -36.18 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 2.3 ttm180 -56.87 -45.44 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -63.67 -32.92 74.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.925 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.3 mtp -74.99 -48.83 22.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD11 ' HE2' ' A' ' 86' ' ' TYR . 1.2 mt -68.11 -28.92 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.2 mm-40 -75.34 -49.51 18.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -64.95 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -54.89 -52.52 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.758 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.61 130.33 3.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.902 ' CD1' HG11 ' A' ' 76' ' ' VAL . 14.9 tp -63.97 -59.24 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.27 -8.14 29.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 10.1 m-20 -91.53 -11.12 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 22' ' ' ILE . 21.2 t -121.86 -40.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.9 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.2 tp -126.32 89.03 53.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.06 -25.67 8.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.902 HG11 ' CD1' ' A' ' 69' ' ' LEU . 6.7 p -39.82 152.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -83.57 -35.28 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.557 ' H ' HG22 ' A' ' 76' ' ' VAL . 9.6 m -172.51 165.8 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.56 ' O ' HD12 ' A' ' 83' ' ' ILE . 21.1 mt -53.75 -41.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -46.37 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.58 -39.39 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.31 64.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mp -62.38 -45.03 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -55.41 -37.51 67.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.96 -49.39 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.695 ' CE1' HD13 ' A' ' 73' ' ' LEU . 16.1 m-85 -66.79 -26.07 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -28.93 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -73.58 -39.13 64.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -92.89 -51.9 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -96.96 122.77 40.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.29 147.28 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.22 -30.1 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.19 -51.81 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.869 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -65.15 -53.28 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -18.93 65.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -59.24 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -100.44 -55.16 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 124.89 -160.09 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.787 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.2 t -107.05 157.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.733 HG21 ' HD1' ' A' ' 27' ' ' TYR . 17.3 m -137.62 107.55 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.925 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -78.22 98.12 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.451 HD13 ' CZ ' ' A' ' 31' ' ' ARG . 37.3 pt -99.41 122.69 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 114.34 15.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.904 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -108.76 145.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.02 105.88 6.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.524 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.536 HD21 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -73.26 58.43 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 110' ' ' TYR . 0.7 OUTLIER -117.8 -9.39 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' GLU . 16.4 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.46 157.13 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -115.8 143.83 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -125.46 149.12 48.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' SER . 3.3 mtt -151.51 -172.14 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.93 147.31 14.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.7 pt? -169.31 163.03 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.69 148.62 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -38.89 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.14 -34.84 79.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.706 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.28 -27.43 59.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.665 HD23 ' HB2' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -65.65 -33.99 77.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.89 -31.77 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.07 -45.78 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.794 HG21 HG11 ' A' ' 49' ' ' VAL . 3.0 mp -59.38 -44.61 92.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -33.14 55.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 17' ' ' LEU . 10.0 mt -85.37 -21.49 28.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 23' ' ' GLU . 14.0 mtt180 -71.59 0.1 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -72.59 -12.22 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -126.86 2.7 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mmtm -119.43 -115.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.142 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.7 172.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.839 ' HB3' HD12 ' A' ' 105' ' ' ILE . 82.0 tt0 -148.6 102.91 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -123.13 150.64 16.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 19.8 mtt180 -161.09 162.03 31.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.797 HD13 ' HA ' ' A' ' 95' ' ' GLU . 1.7 tp -55.65 109.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.834 ' CD2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -45.75 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 28.7 m-20 -169.26 173.57 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.9 -48.84 78.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -42.39 95.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.866 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -68.54 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -51.14 -42.27 60.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -27.3 68.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 31' ' ' ARG . 51.9 mt -73.62 130.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' CD ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -129.42 166.37 26.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.01 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.79 52.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.12 -170.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 13.3 t -136.74 150.94 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.31 140.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -115.33 135.92 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.635 ' CD1' HD22 ' A' ' 7' ' ' LEU . 38.5 m-85 -112.88 131.56 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' CG ' HD11 ' A' ' 12' ' ' LEU . 16.9 mm-40 61.37 40.99 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.52 -61.97 1.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.19 34.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.655 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.72 -40.23 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -134.29 123.63 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -107.06 138.06 43.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.807 HG12 ' HB3' ' A' ' 107' ' ' PRO . 32.9 m -136.8 158.86 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.43 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.503 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 59.7 t -64.3 142.3 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -41.67 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.7 163.66 9.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.762 HG13 HG22 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -120.53 149.07 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 3.0 mtt85 -151.83 154.58 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.65 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.4 t -126.19 144.55 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.3 m-85 -130.04 175.15 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -74.92 -44.01 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.69 167.11 31.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.939 ' O ' HD22 ' A' ' 64' ' ' LEU . 2.6 m-85 -56.42 -36.88 69.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -56.54 -48.7 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.98 -29.96 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.921 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 1.3 mtp -75.66 -49.58 17.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.939 HD22 ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.3 mm-40 -72.3 -44.41 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -84.77 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 22' ' ' ILE . 2.2 tp10 -60.36 -55.06 38.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.48 128.58 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.054 HD11 HG11 ' A' ' 76' ' ' VAL . 12.9 tp -59.25 -59.37 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.69 -8.64 29.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.456 ' HA ' ' CD ' ' A' ' 21' ' ' LYS . 8.2 m-80 -94.92 6.88 47.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.142 HG22 HG22 ' A' ' 22' ' ' ILE . 87.3 t -138.37 -53.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.928 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -115.68 87.48 17.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.84 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.24 -33.17 3.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 69' ' ' LEU . 2.9 p -38.47 155.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -85.22 -34.41 22.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -172.7 170.14 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.413 HG12 HD22 ' A' ' 69' ' ' LEU . 5.6 mt -57.06 -35.65 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -47.98 74.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.73 -37.58 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.73 -43.82 60.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.2 mt -63.95 -37.74 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -62.11 -37.35 84.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.33 -49.26 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.599 ' HE1' HD13 ' A' ' 73' ' ' LEU . 3.8 m-30 -60.81 -22.15 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -47.72 45.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -75.2 -20.97 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 1.3 m-85 -91.42 -55.59 3.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -115.17 148.03 39.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.18 144.54 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.03 -32.72 61.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -51.57 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.14 81.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.797 ' HA ' HD13 ' A' ' 26' ' ' LEU . 3.2 tm-20 -64.92 -53.07 52.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.23 -18.66 65.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -59.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -100.36 -55.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.55 -165.01 13.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.755 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.3 t -99.22 155.11 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.834 HG11 ' CD2' ' A' ' 27' ' ' TYR . 3.4 m -137.66 107.62 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.921 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -81.41 98.09 8.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.762 HG22 HG13 ' A' ' 54' ' ' ILE . 30.8 pt -96.99 134.64 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 8.3 tt0 -90.53 120.29 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.839 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -125.01 163.65 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.46 107.62 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.807 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.17 83.48 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -119.7 -7.42 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.486 0.184 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.52 110.39 4.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.592 ' HB3' HG23 ' A' ' 40' ' ' ILE . 97.6 m95 -87.4 132.64 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.45 131.65 46.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 mmt -124.1 -159.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.33 58.13 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.076 HD21 ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -75.82 176.28 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.99 157.17 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.29 -50.18 74.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.96 -32.87 61.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -75.59 -28.16 58.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.826 HD22 ' CB ' ' A' ' 47' ' ' LEU . 37.9 mt -64.17 -46.76 82.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -31.61 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 74' ' ' PRO . 8.0 mt -60.57 -45.35 94.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.807 HG22 ' HG3' ' A' ' 107' ' ' PRO . 2.2 mp -57.81 -35.56 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -66.02 -35.16 79.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -20.12 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' CZ ' ' OE1' ' A' ' 23' ' ' GLU . 12.7 mtt180 -76.87 -0.56 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -74.46 -9.25 58.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -118.86 -7.73 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 66.1 mttt -115.69 -116.24 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.686 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.34 171.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.797 ' HB3' HD12 ' A' ' 105' ' ' ILE . 19.1 tp10 -145.35 103.01 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 102' ' ' ALA . . . -115.11 175.48 16.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.74 -178.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -65.48 130.71 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.766 ' HD1' HG21 ' A' ' 101' ' ' VAL . 5.6 t80 -71.06 75.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.96 -176.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 22.5 mm-40 -69.01 -46.6 67.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.67 87.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -58.0 -49.95 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 6.1 ptm180 -65.34 -20.33 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -32.35 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.689 ' CG2' HG21 ' A' ' 51' ' ' VAL . 49.4 mt -68.6 143.47 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.85 159.62 69.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.95 47.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.59 -171.96 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.3 t -136.63 146.31 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.641 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.1 mt -122.14 101.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' TRP . 9.3 p -76.45 147.6 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.076 ' CG ' HD21 ' A' ' 7' ' ' LEU . 16.2 m-30 -122.22 142.41 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG3' HD11 ' A' ' 12' ' ' LEU . 14.3 mm-40 47.96 40.84 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.89 -61.72 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.46 32.06 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.825 ' HD2' HD13 ' A' ' 12' ' ' LEU . 1.8 tmtt? -75.62 -40.33 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.826 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.99 115.42 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 12.0 mmtm -99.43 132.73 44.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 15' ' ' ILE . 32.6 m -133.99 154.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HB2' HG22 ' A' ' 39' ' ' VAL . 6.0 ttp180 -134.58 120.83 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.689 HG21 ' CG2' ' A' ' 34' ' ' ILE . 59.1 t -54.66 140.57 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -41.92 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 103' ' ' ILE . . . -170.37 166.22 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -120.19 149.67 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 1.5 mmt85 -150.9 149.47 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.889 HG13 ' CG1' ' A' ' 101' ' ' VAL . 1.8 t -125.09 145.97 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.533 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 40.3 m-85 -132.6 179.35 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.68 -45.5 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 178.99 9.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.69 ' CD1' HG11 ' A' ' 100' ' ' VAL . 4.8 m-85 -69.4 -43.45 73.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -55.3 -32.99 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -31.75 63.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.559 ' HG2' ' HB2' ' A' ' 102' ' ' ALA . 1.1 mtp -75.47 -50.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -65.74 -26.78 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.0 mm-40 -75.54 -39.9 57.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.6 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.59 -53.19 58.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' A' ' 71' ' ' ASN . . . 130.94 121.95 2.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.843 HD11 HG21 ' A' ' 76' ' ' VAL . 25.7 tp -48.87 -58.86 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.28 -14.45 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 72.6 m-20 -91.36 22.49 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 22' ' ' ILE . 72.2 t -152.46 -56.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.787 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -113.85 92.78 26.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.449 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 121.34 -26.0 6.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.843 HG21 HD11 ' A' ' 69' ' ' LEU . 4.9 p -39.82 150.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -85.18 -36.1 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 76' ' ' VAL . 19.3 m -170.37 165.76 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.468 ' N ' HD22 ' A' ' 69' ' ' LEU . 16.1 mt -53.05 -36.62 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -49.27 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.68 -40.21 91.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 86' ' ' TYR . . . -52.83 -39.77 56.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.5 mt -66.93 -33.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -66.53 -36.35 82.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.54 -41.76 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.77 ' HE1' HD13 ' A' ' 73' ' ' LEU . 1.9 m-30 -69.81 -29.41 66.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.01 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -85.04 -55.06 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -97.84 137.67 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 141.37 58.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -66.23 -42.47 88.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -55.03 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.08 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.6 OUTLIER -64.14 -53.14 54.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.34 -15.67 62.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.27 -51.84 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.98 -135.45 10.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.0 t -133.25 153.78 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.889 ' CG1' HG13 ' A' ' 56' ' ' VAL . 5.4 m -137.3 110.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.559 ' HB2' ' HG2' ' A' ' 63' ' ' MET . . . -82.24 97.7 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' ALA . 2.6 mp -89.78 135.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 16.7 tt0 -91.83 113.67 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.797 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -119.4 167.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.59 113.24 1.51 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.807 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.4 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 82.08 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 110' ' ' TYR . 1.4 tp10 -130.14 -101.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' CG ' ' A' ' 109' ' ' GLU . 30.4 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.437 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.526 0.203 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.51 117.13 6.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 1' ' ' MET . 41.2 m95 -94.45 154.88 17.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.03 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -139.48 123.57 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.41 ' HG3' HG21 ' A' ' 40' ' ' ILE . 2.1 mmt -129.63 -175.29 3.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.71 142.32 9.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.8 pt? -168.43 149.73 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -40.64 139.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 -31.75 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.39 -36.13 77.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.77 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.07 -38.42 66.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.727 HD12 ' HG ' ' A' ' 7' ' ' LEU . 6.1 mp -55.2 -41.33 71.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -31.41 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 74' ' ' PRO . 18.8 mt -67.87 -44.66 76.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.73 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.6 mp -56.18 -45.42 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.594 ' HE2' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.82 -31.28 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 2.0 mt -85.67 -19.77 30.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 72' ' ' VAL . 6.8 mtt85 -73.93 0.56 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.68 -29.83 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 0.29 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HB3' ' C ' ' A' ' 71' ' ' ASN . 6.8 mptt -118.77 -114.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.95 175.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.66 ' N ' HG23 ' A' ' 22' ' ' ILE . 38.0 tt0 -144.55 99.42 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -86.06 -178.17 49.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mmm-85 158.91 121.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.04 133.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.588 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.0 t80 -61.78 101.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.19 -168.1 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.3 mt-10 -75.87 -41.83 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -41.93 86.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.79 -51.76 67.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 27' ' ' TYR . 15.5 ptp180 -63.86 -21.32 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -37.0 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.683 ' CG2' HG21 ' A' ' 51' ' ' VAL . 73.5 mt -75.08 160.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.14 164.11 24.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.0 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.57 -35.6 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.25 -179.47 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 49' ' ' VAL . 21.7 t -138.95 151.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.591 HD12 HG23 ' A' ' 49' ' ' VAL . 1.5 mt -120.08 152.12 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 5.0 m -124.75 125.29 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CD1' HD21 ' A' ' 7' ' ' LEU . 47.7 m-85 -98.13 151.85 19.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 39.14 40.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.87 -63.21 2.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.433 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -168.03 29.08 0.16 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -75.58 -31.48 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.73 HD21 ' CG2' ' A' ' 15' ' ' ILE . 44.0 tp -151.79 132.37 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -126.8 150.02 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 39' ' ' VAL . 17.8 m -140.13 160.0 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.707 ' NH1' HD22 ' A' ' 108' ' ' LEU . 8.9 ttm105 -128.57 116.58 19.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.683 HG21 ' CG2' ' A' ' 34' ' ' ILE . 79.4 t -54.61 133.49 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -44.22 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.02 157.53 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.579 HD11 HG12 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.75 149.36 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 10.8 mmm180 -142.7 155.5 44.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 101' ' ' VAL . 2.6 t -131.88 140.76 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 63' ' ' MET . 24.9 m-85 -132.22 178.29 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -45.44 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -154.01 166.27 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.847 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -57.92 -36.68 72.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.15 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.44 -42.9 91.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.845 ' HG2' ' HB2' ' A' ' 102' ' ' ALA . 1.4 mtp -61.86 -49.76 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.776 HD11 ' HE2' ' A' ' 86' ' ' TYR . 8.0 mt -66.5 -29.3 69.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.69 -43.11 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.09 -52.15 66.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.19 123.74 2.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.006 HD11 HG21 ' A' ' 76' ' ' VAL . 11.7 tp -56.59 -58.69 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.36 -18.82 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' C ' ' HB3' ' A' ' 21' ' ' LYS . 74.0 m-20 -89.8 12.37 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 22' ' ' ILE . 55.0 t -137.3 -58.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.681 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -112.42 97.36 39.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.55 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.97 117.18 4.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.54 -23.12 12.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.006 HG21 HD11 ' A' ' 69' ' ' LEU . 14.9 p -40.32 148.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -85.45 -37.11 20.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -167.36 165.56 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 83' ' ' ILE . 26.9 mt -54.98 -39.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -45.27 85.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -38.96 93.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.91 -50.39 61.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.3 mt -57.54 -40.68 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -57.62 -37.56 73.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.29 -49.48 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.776 ' HE2' HD11 ' A' ' 64' ' ' LEU . 17.3 m-85 -64.81 -30.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.46 -34.73 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -64.01 -48.02 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -79.42 -52.27 8.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -92.21 143.03 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.68 147.6 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -34.63 64.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -54.72 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -41.78 89.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.9 tm-20 -61.98 -52.56 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -65.07 -13.41 57.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -74.28 -59.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.26 -53.36 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.02 -133.31 8.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.847 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.8 t -133.04 151.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.567 HG21 ' HD1' ' A' ' 27' ' ' TYR . 12.7 m -137.27 108.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 63' ' ' MET . . . -74.15 98.24 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.579 HG12 HD11 ' A' ' 54' ' ' ILE . 2.9 mt -86.15 126.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 29.3 tt0 -93.17 106.62 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -107.01 173.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -154.88 101.32 2.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.631 ' CB ' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.97 104.31 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.707 HD22 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -87.98 87.86 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -146.67 -104.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.456 0.17 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.71 146.39 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -101.7 144.6 30.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.1 140.06 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 mtt -140.02 -172.58 3.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.45 62.57 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.78 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -75.97 -175.67 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.3 38.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.2 tt0 -62.3 -49.8 74.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 -32.48 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -75.19 -32.53 61.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 42' ' ' PHE . 24.3 mt -60.94 -45.77 93.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.87 -34.06 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD22 ' HG2' ' A' ' 74' ' ' PRO . 19.0 mt -59.53 -44.99 93.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.847 HG21 HG11 ' A' ' 49' ' ' VAL . 2.6 mp -56.64 -37.03 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -64.13 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -21.89 29.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 mtt180 -78.45 1.61 21.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -72.46 -11.74 60.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.77 7.28 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 9.5 mttt -126.15 -115.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -168.19 178.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.707 ' N ' HG23 ' A' ' 22' ' ' ILE . 11.9 pt-20 -144.47 133.0 22.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 155.59 21.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 17.5 tpt180 175.88 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -38.56 141.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.624 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.8 t80 -70.79 86.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.89 -174.65 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -65.1 -44.31 89.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.1 mmt180 -56.82 -44.83 82.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 9.0 mtp-105 -51.7 -35.82 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -26.85 60.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 31' ' ' ARG . 55.9 mt -73.07 146.67 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -147.14 163.41 28.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.508 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.38 -34.44 0.38 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.49 -173.31 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 49' ' ' VAL . 66.3 t -136.03 155.91 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 49' ' ' VAL . 3.7 mt -125.45 112.63 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -92.03 119.57 31.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.992 ' HB3' HD21 ' A' ' 12' ' ' LEU . 13.4 m-85 -101.35 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.934 ' HG3' HD11 ' A' ' 12' ' ' LEU . 49.1 mt-10 45.51 32.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.69 -62.34 1.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 48' ' ' LYS . . . -166.55 26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -76.6 -36.47 57.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.857 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -144.43 113.07 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' CE ' ' HA2' ' A' ' 45' ' ' GLY . 8.7 mmtp -107.88 135.74 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.847 HG11 HG21 ' A' ' 15' ' ' ILE . 18.1 m -135.61 151.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 39' ' ' VAL . 32.1 ttm180 -127.62 121.48 30.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 36' ' ' PRO . 66.2 t -54.66 138.71 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 -42.06 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' CD1' HG12 ' A' ' 103' ' ' ILE . 2.0 tt -118.15 149.9 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 6.0 mtm180 -142.97 164.33 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG13 HG12 ' A' ' 101' ' ' VAL . 1.5 t -135.78 139.75 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 53.1 m-85 -132.29 178.73 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.02 -45.69 33.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.8 178.5 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 84.0 m-85 -61.29 -37.63 83.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -55.71 -56.97 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.97 -32.13 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.548 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 11.3 mtp -75.26 -43.12 53.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -73.16 -32.89 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -76.31 -45.4 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -80.63 -64.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -60.89 -51.44 69.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.625 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.62 126.14 2.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.935 HD11 HG21 ' A' ' 76' ' ' VAL . 18.6 tp -56.92 -60.25 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.82 -16.62 64.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ILE . 3.4 m-20 -89.41 11.28 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 22' ' ' ILE . 83.2 t -137.33 -58.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.766 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -111.05 98.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.478 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -75.08 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.53 -25.04 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.935 HG21 HD11 ' A' ' 69' ' ' LEU . 13.8 p -38.81 146.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -38.98 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -162.15 165.85 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.72 ' O ' HD12 ' A' ' 83' ' ' ILE . 34.5 mt -55.5 -44.41 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.51 79.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.84 73.13 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.409 1.068 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.4 mp -57.73 -35.9 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -60.21 -35.97 76.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 73' ' ' LEU . 1.3 t -65.15 -42.39 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 19.4 m-85 -72.96 -25.2 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 92' ' ' GLU . 1.3 tpp85 -74.55 -38.83 62.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -65.24 -44.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -80.14 -55.16 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -96.02 142.06 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.02 151.03 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 4.0 pt-20 -75.51 -25.56 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -55.63 6.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -44.79 86.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 8.1 tm-20 -62.35 -49.6 74.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 19.7 mmtt -57.34 -17.12 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -101.52 -55.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 123.83 -141.6 13.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.514 HG21 ' N ' ' A' ' 60' ' ' PHE . 1.8 t -123.92 124.51 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.624 HG21 ' HD1' ' A' ' 27' ' ' TYR . 10.6 m -106.19 107.05 21.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.06 97.84 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 101' ' ' VAL . 2.5 mt -93.51 123.16 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.34 108.44 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.573 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -110.8 158.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.598 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.5 mm-40 -145.45 112.86 4.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.769 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.94 119.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -101.08 28.82 5.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 110' ' ' TYR . 7.8 tp10 -69.4 -96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.444 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 14.6 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.501 0.191 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.82 146.33 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -94.67 145.21 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -136.49 128.61 29.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.621 ' CE ' HG21 ' A' ' 40' ' ' ILE . 4.4 mtt -131.11 -174.78 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.553 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -149.42 148.03 18.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.914 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -168.13 -178.86 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -73.69 155.26 39.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.79 -49.17 78.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.04 -33.41 62.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.914 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.27 -29.37 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.95 HD22 ' HB2' ' A' ' 47' ' ' LEU . 16.5 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.41 -30.81 70.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 14' ' ' LEU . 10.7 mt -59.12 -37.57 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.3 mp -60.98 -44.68 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' HD21 ' A' ' 47' ' ' LEU . 4.6 ttmt -67.24 -28.45 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.9 -48.02 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.66 3.97 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -69.05 -30.67 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -84.9 5.59 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 66.3 mmtt -126.23 -103.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.079 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -163.82 179.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.708 ' N ' HG23 ' A' ' 22' ' ' ILE . 8.7 tt0 -143.54 112.33 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -80.7 165.99 48.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER 170.27 110.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -38.78 135.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.663 ' HD1' HG11 ' A' ' 101' ' ' VAL . 2.1 t80 -71.23 86.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.1 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -72.88 -47.93 41.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -41.3 87.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -58.03 -52.2 66.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 13.2 ptm180 -64.97 -23.86 67.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.06 65.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.4 mt -75.19 147.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 163.05 53.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.77 51.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.02 -170.71 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 33.8 t -139.33 147.22 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -122.65 106.75 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 100.0 p -82.76 123.27 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.906 ' CD1' HD21 ' A' ' 7' ' ' LEU . 21.2 m-85 -97.21 149.57 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 40.91 42.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.99 -62.6 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -173.26 29.9 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.853 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -76.63 -40.36 49.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.95 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.53 116.01 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -108.03 137.74 45.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 107' ' ' PRO . 4.2 m -136.98 144.9 30.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -121.59 122.23 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 54.6 t -57.45 145.24 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.08 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -42.63 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.59 159.62 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.569 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -111.57 148.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.734 ' C ' HG23 ' A' ' 101' ' ' VAL . 5.8 mmt180 -148.42 113.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -95.31 146.55 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 34.3 m-85 -129.82 -177.57 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -46.43 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -156.86 167.36 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -59.63 -38.27 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.9 ttm180 -56.46 -37.04 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.69 -37.8 67.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.551 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 2.8 mtp -64.98 -49.72 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 69' ' ' LEU . 40.6 mt -65.93 -29.7 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.3 mm-40 -75.9 -43.74 43.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' MET . 5.8 mm-40 -60.11 -53.18 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.48 125.07 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.949 ' CD1' HG11 ' A' ' 76' ' ' VAL . 15.2 tp -53.36 -60.83 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.27 -9.33 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.472 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 1.5 m-20 -95.07 3.04 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.079 HG22 HG22 ' A' ' 22' ' ' ILE . 47.0 t -134.93 -46.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.969 HD23 ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.81 92.44 48.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.82 8.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 109.3 -26.98 13.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.969 ' HB ' HD23 ' A' ' 73' ' ' LEU . 11.3 p -39.51 152.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -85.55 -37.44 19.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.449 ' H ' HG22 ' A' ' 76' ' ' VAL . 15.0 t -168.79 171.47 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.1 mt -58.3 -38.91 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -46.79 78.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.51 -40.71 97.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -46.28 60.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -58.65 -39.84 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.11 -38.15 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.72 -45.03 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.786 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 11.5 m-30 -65.32 -32.9 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.32 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -53.28 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -76.33 -49.69 16.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.559 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -101.65 143.74 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 142.21 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -30.94 67.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.39 -52.88 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -38.84 87.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.563 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -64.97 -53.24 49.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -65.51 -15.26 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -74.54 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.34 -55.01 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.31 -154.13 19.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.757 HG11 ' CD1' ' A' ' 60' ' ' PHE . 1.6 t -120.83 151.35 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.734 HG23 ' C ' ' A' ' 55' ' ' ARG . 4.9 p -137.65 116.53 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.36 98.64 11.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.569 ' CG2' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -89.44 133.1 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -89.5 107.94 19.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.587 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -103.71 158.08 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.786 ' O ' HD23 ' A' ' 108' ' ' LEU . 2.8 pt-20 -137.86 101.05 8.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.792 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.04 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -98.32 62.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -105.91 -19.87 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.477 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -137.12 155.12 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -149.23 139.03 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -116.37 169.1 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 1.9 mtm -174.08 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.46 140.29 18.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -165.11 -178.97 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.34 155.81 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' HG3' ' CE ' ' A' ' 46' ' ' LYS . 12.8 tt0 -62.44 -40.27 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 -36.86 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.659 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -72.68 -30.3 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.022 HD22 ' CB ' ' A' ' 47' ' ' LEU . 54.3 mt -68.1 -48.56 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.883 ' O ' HD12 ' A' ' 17' ' ' LEU . 34.2 tt0 -56.25 -29.29 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' HG2' ' A' ' 74' ' ' PRO . 12.9 mt -66.36 -43.86 84.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.794 HD12 HH11 ' A' ' 18' ' ' ARG . 1.0 OUTLIER -56.65 -38.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -65.59 -31.7 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -82.44 -19.61 38.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.794 HH11 HD12 ' A' ' 15' ' ' ILE . 9.0 mtt180 -80.68 0.4 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -73.1 -22.61 60.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -3.85 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 3.3 mttt -113.7 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.024 ' CG2' HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -168.04 175.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.667 ' N ' HG23 ' A' ' 22' ' ' ILE . 4.5 tt0 -142.36 108.22 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -77.42 179.49 50.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 158.48 135.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -59.4 142.36 52.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.688 ' N ' HD12 ' A' ' 26' ' ' LEU . 13.8 t80 -75.48 68.56 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.46 -166.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.6 mt-10 -76.23 -44.12 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -67.13 -41.13 86.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -51.65 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 12.9 ptm180 -63.71 -28.16 69.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -29.49 60.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.709 ' CG2' HG21 ' A' ' 51' ' ' VAL . 83.8 mt -72.18 123.66 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 161.64 22.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 86.86 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.56 -30.91 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.45 -171.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.0 t -139.92 146.18 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 49' ' ' VAL . 6.3 mt -120.5 102.29 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -80.19 147.69 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.862 ' HB3' HD21 ' A' ' 12' ' ' LEU . 19.7 m-85 -128.19 133.9 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 56.07 38.22 29.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -63.06 2.38 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.34 28.59 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.12 -37.3 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.022 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -139.39 112.25 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 9.4 mmtm -105.59 131.95 52.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 107' ' ' PRO . 17.1 m -133.79 151.21 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' HB2' HG22 ' A' ' 39' ' ' VAL . 31.1 ttt180 -129.05 116.49 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 ' CG2' ' A' ' 34' ' ' ILE . 95.4 t -46.12 123.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -47.93 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.84 148.66 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.362 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.73 141.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.821 ' O ' HG23 ' A' ' 101' ' ' VAL . 6.6 mmt85 -143.77 144.57 31.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.35 145.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 48.3 m-85 -133.16 -178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -75.93 -46.16 31.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -160.13 176.76 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD1' HG11 ' A' ' 100' ' ' VAL . 65.6 m-85 -61.52 -39.26 90.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.8 tpp85 -56.13 -48.83 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.47 -33.13 74.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.542 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 8.9 mtp -72.08 -50.2 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 69' ' ' LEU . 21.6 mt -70.5 -27.11 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' OE2' ' CD1' ' A' ' 79' ' ' ILE . 15.5 mm-40 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -54.87 -47.27 74.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 121.99 128.3 3.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.811 HD11 HG11 ' A' ' 76' ' ' VAL . 16.1 tp -61.45 -59.92 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.59 -11.06 57.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 4.4 m120 -94.36 8.68 41.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.024 HG22 ' CG2' ' A' ' 22' ' ' ILE . 92.7 t -136.18 -54.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.92 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -118.55 93.21 45.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 116.28 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.05 -25.51 8.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.92 ' HB ' HD23 ' A' ' 73' ' ' LEU . 5.8 p -39.5 153.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.55 -34.3 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m -171.43 166.57 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.726 ' O ' HD12 ' A' ' 83' ' ' ILE . 20.1 mt -53.44 -43.34 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -43.77 98.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -38.34 90.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.51 -48.85 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.726 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mp -58.57 -40.54 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.09 -38.18 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.78 -50.58 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.659 ' HE2' HD11 ' A' ' 64' ' ' LEU . 19.5 m-85 -66.06 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -73.53 -30.88 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.88 -53.41 56.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -79.22 -49.49 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.58 142.48 27.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.51 145.09 54.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.79 -27.67 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.92 -54.46 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.37 77.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 2.0 tm-20 -64.5 -49.43 71.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -63.8 -14.38 52.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -75.23 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -97.36 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.29 -155.63 20.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.8 t -112.68 155.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 55' ' ' ARG . 3.3 p -135.86 108.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 22' ' ' ILE . . . -80.93 98.08 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.473 HG13 HG22 ' A' ' 101' ' ' VAL . 2.9 mp -95.29 113.0 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.54 106.88 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.918 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -97.56 147.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.49 108.49 3.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.607 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 120.69 6.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.13 76.37 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.27 -142.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.545 0.212 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -139.91 146.13 38.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -112.26 146.93 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 159.73 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.38 -175.59 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.719 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -157.3 140.43 7.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -171.39 146.76 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.23 144.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.91 -35.49 66.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.19 -33.27 75.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -75.25 -26.34 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.013 HD22 ' CB ' ' A' ' 47' ' ' LEU . 18.4 mt -68.73 -51.09 45.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -25.64 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 mt -68.0 -36.57 80.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.7 mp -60.72 -41.3 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 3.5 ttmt -67.32 -50.86 58.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -46.67 87.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -78.29 4.57 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -68.96 -29.16 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.16 9.55 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.8 mttt -128.85 -107.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.66 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -161.5 173.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.604 ' N ' HG23 ' A' ' 22' ' ' ILE . 9.2 tt0 -141.49 108.35 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -77.02 176.0 53.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER 161.24 100.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -36.46 123.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -55.87 158.51 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.09 -174.0 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.89 -49.25 68.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -47.21 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.52 -37.79 87.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.59 -36.22 66.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 31' ' ' ARG . 77.1 mt -72.67 129.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 160.49 66.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.92 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.72 47.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.91 -170.48 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -136.02 141.1 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.82 130.1 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.31 139.29 34.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.798 ' CD1' HD21 ' A' ' 7' ' ' LEU . 24.6 m-85 -120.08 147.61 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' PHE . 23.4 mm-40 38.04 40.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 -62.66 1.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.8 30.36 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.17 -40.06 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.013 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -134.84 116.86 15.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.7 mmtp -110.53 126.5 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 107' ' ' PRO . 4.8 m -127.9 163.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.641 ' HB2' HG22 ' A' ' 39' ' ' VAL . 3.3 ttm180 -135.11 118.87 17.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.89 141.21 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.72 -42.7 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.3 163.65 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.753 HD12 HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -118.28 144.74 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -141.91 155.61 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.735 HG13 HG12 ' A' ' 101' ' ' VAL . 1.8 t -135.07 139.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 29.2 m-85 -129.7 -179.35 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.69 -45.72 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -159.28 167.12 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.785 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -56.99 -34.83 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.4 tmm_? -56.93 -38.61 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.0 -36.08 66.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.653 ' SD ' HG12 ' A' ' 100' ' ' VAL . 4.5 mtp -70.75 -48.58 53.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD11 ' HE2' ' A' ' 86' ' ' TYR . 14.5 mt -67.63 -30.72 70.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 11.1 mm-40 -76.28 -50.15 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.12 -65.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -56.88 -50.71 71.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 128.67 129.82 3.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 76' ' ' VAL . 17.0 tp -63.85 -59.85 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.806 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.54 -13.95 62.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 2.6 m-20 -93.46 11.9 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 68' ' ' GLY . 86.0 t -137.94 -49.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.812 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.04 93.73 43.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.95 -34.86 3.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 69' ' ' LEU . 9.9 p -38.56 148.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -83.37 -38.7 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -161.86 167.23 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 69' ' ' LEU . 54.8 mt -55.81 -35.08 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -49.25 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.74 -37.54 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.427 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -52.9 -46.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.543 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 6.6 mt -62.07 -38.57 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -60.43 -36.34 77.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.785 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 8.8 m-30 -68.2 -20.91 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -43.43 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.93 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -111.46 156.04 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.54 143.92 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.43 -32.8 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.06 -54.67 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.847 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.9 tm-20 -63.16 -53.17 57.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -13.92 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.2 -58.94 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -99.99 -54.51 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.23 -164.78 18.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.728 HG21 ' N ' ' A' ' 60' ' ' PHE . 3.6 t -100.39 151.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.735 HG12 HG13 ' A' ' 56' ' ' VAL . 17.2 m -137.02 106.78 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.569 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -80.09 98.84 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.753 HG12 HD12 ' A' ' 54' ' ' ILE . 2.1 mp -94.16 139.08 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.7 tt0 -95.09 116.23 28.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.631 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -111.58 158.21 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.14 102.25 7.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.684 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.98 98.65 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.419 HD12 ' H ' ' A' ' 108' ' ' LEU . 1.5 mp -59.0 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -160.85 -145.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.404 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.563 0.22 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.47 133.73 53.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.446 ' HB2' HG23 ' A' ' 40' ' ' ILE . 19.5 m95 -110.65 158.87 18.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.51 153.09 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.443 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.8 mtm -159.34 158.78 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.61 55.45 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.723 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 2.2 pt? -75.48 171.09 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.52 ' O ' HD13 ' A' ' 12' ' ' LEU . 13.0 mt-30 -58.32 149.73 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -65.52 -41.54 93.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.26 -36.02 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.624 ' HB3' HD12 ' A' ' 7' ' ' LEU . 1.7 m-85 -71.16 -41.17 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 47' ' ' LEU . 10.7 mp -50.6 -39.77 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.748 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -70.73 -24.55 62.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 14' ' ' LEU . 13.2 mt -74.76 -42.35 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.452 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -56.41 -35.87 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HE2' HD21 ' A' ' 47' ' ' LEU . 1.6 ttmt -65.06 -28.82 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -85.29 -24.46 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HB2' HD11 ' A' ' 105' ' ' ILE . 1.6 mtt180 -76.79 1.37 17.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -71.23 -11.92 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -3.31 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -117.33 -112.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.982 ' CG2' HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -167.21 -167.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.762 ' N ' HG23 ' A' ' 22' ' ' ILE . 17.5 tt0 -148.92 127.23 12.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.38 143.24 16.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . 4.7 tpp180 177.59 105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.12 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.732 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.5 t80 -75.36 93.05 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.07 178.74 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.31 -41.23 96.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -47.39 76.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -56.97 -39.63 74.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 27' ' ' TYR . 3.7 ttt180 -54.36 -46.28 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -21.62 59.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.545 ' CG2' HG21 ' A' ' 51' ' ' VAL . 28.4 mt -70.68 149.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 161.19 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.79 -28.45 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 8.5 m-20 -75.08 -178.2 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 50' ' ' ARG . 35.6 t -138.86 151.56 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.446 HG23 ' HB2' ' A' ' 3' ' ' TRP . 1.3 mp -124.96 127.84 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.6 OUTLIER -93.24 123.93 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 40.7 m-85 -107.13 139.66 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 47.51 43.18 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.31 -63.98 2.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.03 28.24 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -76.89 -36.95 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.709 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.68 126.37 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.67 130.61 51.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 107' ' ' PRO . 12.3 m -130.18 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.579 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -123.25 118.07 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.545 HG21 ' CG2' ' A' ' 34' ' ' ILE . 85.2 t -44.71 118.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -50.05 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.35 152.96 17.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.608 HD12 HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -109.14 143.55 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 1.1 mmm180 -140.38 153.4 46.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 101' ' ' VAL . 16.6 t -126.77 140.75 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 32.8 m-85 -132.98 173.22 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -75.19 -43.24 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 176.35 12.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.678 ' CD1' HG11 ' A' ' 100' ' ' VAL . 2.6 m-85 -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.5 tpp85 -56.49 -45.62 80.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.63 -31.06 71.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.753 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 2.5 mtp -75.42 -49.23 19.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 69' ' ' LEU . 8.1 mt -72.1 -30.22 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.1 mm-40 -75.32 -44.61 44.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -83.39 -64.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.8 OUTLIER -60.64 -53.32 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.725 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 127.71 128.14 3.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 76' ' ' VAL . 12.0 tp -58.36 -59.3 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -66.4 -9.83 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.571 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.3 m-20 -95.68 10.05 38.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.982 HG22 ' CG2' ' A' ' 22' ' ' ILE . 48.5 t -137.42 -50.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.827 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -119.83 97.74 49.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 112.49 -17.17 23.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 69' ' ' LEU . 5.3 p -39.33 152.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.69 -32.75 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.589 ' H ' HG22 ' A' ' 76' ' ' VAL . 3.7 m -175.96 168.29 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' N ' HD22 ' A' ' 69' ' ' LEU . 16.5 mt -56.22 -44.29 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -42.44 92.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.16 -38.1 85.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.21 -47.88 71.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.49 -42.87 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.95 -38.82 68.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.01 -54.62 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.68 ' HE1' HD13 ' A' ' 73' ' ' LEU . 4.9 m-30 -60.86 -22.99 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -48.72 23.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -71.03 -23.15 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.1 m-85 -88.74 -55.26 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -103.58 154.18 19.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 144.85 48.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.56 -44.4 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.58 74.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.69 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -64.5 -53.6 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -21.44 66.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -59.75 3.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -99.35 -55.46 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.88 -122.26 3.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.678 HG11 ' CD1' ' A' ' 60' ' ' PHE . 3.1 t -140.28 144.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.83 ' O ' HD12 ' A' ' 103' ' ' ILE . 4.8 m -135.36 107.15 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.753 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -76.23 97.5 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 101' ' ' VAL . 2.8 mp -88.94 123.8 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE1' HD11 ' A' ' 22' ' ' ILE . 5.9 tt0 -76.89 106.29 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.968 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.1 pp -103.12 134.75 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.16 111.23 9.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.597 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 116.34 4.56 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 69.18 8.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.6 -143.27 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmm . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.505 0.193 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.76 114.31 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -100.5 148.57 24.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -135.48 119.16 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.477 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -124.65 118.72 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.73 61.08 4.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.809 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -74.6 158.05 34.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.3 142.29 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.5 -48.51 65.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.77 -37.14 59.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.898 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -69.52 -40.87 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.02 HD23 ' HB2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -50.34 -34.72 24.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.58 -30.89 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' C ' ' HD2' ' A' ' 18' ' ' ARG . 13.9 mt -61.45 -45.58 93.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.941 HG22 ' HG3' ' A' ' 107' ' ' PRO . 4.8 mp -56.05 -37.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -32.72 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.27 -25.69 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 72' ' ' VAL . 9.5 mtt-85 -76.49 1.38 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.4 -12.03 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -2.3 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 20.8 mttt -115.05 -114.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.172 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.027 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.3 174.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' HD12 ' A' ' 105' ' ' ILE . 6.1 tp10 -154.45 99.38 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.49 172.17 16.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HD3' HD12 ' A' ' 103' ' ' ILE . 0.0 OUTLIER 177.08 145.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.863 HD13 ' HA ' ' A' ' 95' ' ' GLU . 2.7 tp -40.21 117.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 3.6 t80 -63.77 90.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.45 -165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.96 -44.75 60.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.1 -42.39 98.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.818 ' HA ' HD12 ' A' ' 34' ' ' ILE . 4.3 mmp_? -62.74 -34.27 76.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 11.6 ttt180 -57.08 -43.27 81.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -27.8 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 31' ' ' ARG . 67.3 mt -70.35 135.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -146.41 163.24 30.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 102.82 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.81 -34.22 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.22 -178.74 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' A' ' 50' ' ' ARG . 79.4 t -137.08 146.34 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -119.47 124.34 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.53 103.07 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.809 ' CD1' HD21 ' A' ' 7' ' ' LEU . 19.8 m-85 -81.2 135.47 35.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.749 ' HG3' HD11 ' A' ' 12' ' ' LEU . 36.3 mt-10 55.76 41.26 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.3 -60.19 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.69 29.52 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.777 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -75.95 -40.35 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.02 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -140.57 112.66 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 1.4 mmmm -98.89 139.27 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -141.5 148.26 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.763 ' HB2' HG22 ' A' ' 39' ' ' VAL . 17.1 ttt-85 -127.86 114.01 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 36' ' ' PRO . 65.6 t -44.61 141.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 -41.39 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.88 158.04 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 103' ' ' ILE . 7.4 tt -118.04 149.74 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 15.7 mmt180 -142.35 161.38 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.631 HG22 HG12 ' A' ' 101' ' ' VAL . 4.1 t -133.43 143.4 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 36.2 m-85 -133.16 178.61 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -45.39 38.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 170.59 21.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.785 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.3 m-85 -60.82 -37.29 81.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -44.57 82.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.02 -40.53 95.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.92 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 1.7 mtp -62.86 -50.1 72.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -66.66 -31.42 72.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.26 -37.44 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -65.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 mm-40 -63.28 -54.37 38.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.97 122.47 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.936 ' CD1' HG11 ' A' ' 76' ' ' VAL . 8.8 tp -52.52 -59.78 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.96 -17.51 64.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 68.7 m-20 -95.28 14.61 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 22' ' ' ILE . 45.3 t -139.76 -46.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.882 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -129.32 96.24 28.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.72 8.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 113.97 -32.22 6.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.936 HG11 ' CD1' ' A' ' 69' ' ' LEU . 11.2 p -39.79 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -85.74 -34.78 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.43 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.9 m -169.0 166.64 11.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.717 ' O ' HD12 ' A' ' 83' ' ' ILE . 69.5 mt -52.82 -39.39 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.22 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -38.21 86.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.77 -50.39 65.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -54.94 -39.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.69 -38.34 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -65.18 -40.03 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 10.2 m-85 -74.91 -24.83 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.7 -45.64 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 16.3 ptp180 -66.88 -36.82 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.8 m-85 -77.85 -53.25 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -108.87 146.53 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.31 147.38 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.65 -37.59 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -50.23 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.28 -41.22 75.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.863 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.17 -52.85 52.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -65.34 -15.81 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -59.28 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.52 -54.2 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.01 -147.71 17.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.754 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.2 t -124.38 153.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.631 HG12 HG22 ' A' ' 56' ' ' VAL . 10.9 m -137.29 107.04 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.92 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -79.01 97.5 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.522 HD12 ' HD3' ' A' ' 25' ' ' ARG . 2.2 mp -88.69 135.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.4 tt0 -94.45 111.59 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -106.27 174.34 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.568 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -162.18 100.21 1.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.941 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.98 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -81.35 78.26 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -133.58 -141.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.451 0.167 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 102.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.491 ' CD1' ' O ' ' A' ' 1' ' ' MET . 16.2 m95 -87.29 154.62 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.54 127.68 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.46 179.1 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.27 49.86 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.714 HD21 ' CD1' ' A' ' 42' ' ' PHE . 1.7 pp -75.38 179.57 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.684 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.61 153.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 12' ' ' LEU . 11.7 tt0 -67.98 -42.76 80.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.7 -33.7 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.8 m-85 -74.83 -28.83 60.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.971 HD22 ' CB ' ' A' ' 47' ' ' LEU . 93.5 mt -63.65 -51.64 64.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.631 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.3 pt-20 -54.67 -24.81 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD22 ' HG2' ' A' ' 74' ' ' PRO . 16.5 mt -75.46 -42.29 53.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' CG2' ' HG3' ' A' ' 107' ' ' PRO . 1.1 mp -56.47 -39.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.82 -29.48 70.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 13' ' ' GLU . 1.4 mt -85.49 -25.96 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 2.5 mtt180 -75.06 -1.18 21.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.92 -6.32 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -102.89 -25.89 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.967 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -125.42 -116.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.967 HD13 ' O ' ' A' ' 21' ' ' LYS . 1.4 mm -145.67 -149.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.701 ' H ' HG22 ' A' ' 22' ' ' ILE . 3.3 pt-20 -152.15 -173.47 4.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -125.76 155.91 19.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 160.27 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -61.82 151.52 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.686 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.9 t80 -75.53 90.95 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.88 -165.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -76.62 -52.97 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -38.02 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' NH2' HG12 ' A' ' 103' ' ' ILE . 4.9 mmm180 -65.65 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -33.75 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.77 -36.12 83.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' HG21 ' A' ' 51' ' ' VAL . 45.5 mt -74.26 148.49 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -147.15 175.42 2.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.06 83.78 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.27 53.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.18 176.2 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -136.13 150.17 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.62 123.43 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -96.98 104.2 16.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.714 ' CD1' HD21 ' A' ' 7' ' ' LEU . 45.8 m-85 -79.54 144.1 34.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.752 ' HG3' HD11 ' A' ' 12' ' ' LEU . 1.7 mm-40 45.55 49.14 11.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.17 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.89 29.26 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -39.58 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.971 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -140.11 119.0 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 10.7 mmtp -105.87 145.5 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 39' ' ' VAL . 28.3 m -146.98 155.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.671 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -133.41 126.99 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.495 HG21 ' CG2' ' A' ' 34' ' ' ILE . 18.8 t -59.65 133.22 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.79 -45.59 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.29 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 tt -102.88 149.12 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.1 mmt180 -147.44 126.07 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.4 t -109.32 143.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 35.2 m-85 -128.82 179.55 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.19 -45.6 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.06 173.39 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CD1' HG11 ' A' ' 100' ' ' VAL . 1.9 m-85 -64.65 -39.91 94.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.63 -35.51 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -73.49 -36.44 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.775 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.1 mtp -66.81 -49.53 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.617 HD21 ' OH ' ' A' ' 86' ' ' TYR . 27.0 mt -67.57 -29.89 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.5 mm-40 -75.74 -43.59 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.744 ' OE1' ' HB1' ' A' ' 102' ' ' ALA . 1.8 mt-10 -59.78 -53.1 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 128.04 120.82 2.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.89 ' CD1' HG11 ' A' ' 76' ' ' VAL . 13.0 tp -49.59 -60.61 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.42 -20.3 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.06 11.93 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 68' ' ' GLY . 75.4 t -137.2 -51.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.961 HD23 ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.58 95.5 48.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.561 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.97 115.24 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.49 -29.39 5.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.961 ' HB ' HD23 ' A' ' 73' ' ' LEU . 9.9 p -40.04 151.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -85.39 -39.06 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -167.08 166.11 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.541 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.7 mt -53.31 -38.33 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -49.87 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.93 -36.83 80.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.44 -47.3 69.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.513 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.2 mt -60.22 -38.29 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -61.23 -37.73 84.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.08 -40.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.677 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.3 m-30 -70.08 -31.24 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -33.23 62.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -45.28 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.76 -54.27 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.75 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -94.02 147.05 23.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.21 149.99 38.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -30.91 60.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -51.53 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -44.39 86.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER -62.99 -53.14 58.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -16.7 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -71.74 -59.29 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.77 -54.71 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.31 -167.32 21.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.719 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.2 t -104.97 151.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.734 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.5 p -137.65 108.31 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.775 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -77.81 97.71 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.44 HG12 ' NH2' ' A' ' 31' ' ' ARG . 2.9 mt -84.03 133.5 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.619 ' HA ' HG23 ' A' ' 22' ' ' ILE . 52.3 tt0 -89.59 106.27 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.771 ' O ' HD12 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -99.38 153.5 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -145.3 100.55 4.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 18.1 Cg_endo -75.04 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -88.87 73.47 8.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -120.39 6.48 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 157.88 45.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' SER . 53.1 m95 -121.2 152.92 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -141.22 163.85 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.1 mtm -159.57 -168.73 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.58 138.74 6.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -165.86 168.43 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -64.95 160.04 21.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.73 -46.58 81.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 3.5 mt-10 -54.36 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.694 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -63.74 -41.08 98.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.1 pt-20 -70.64 -32.16 69.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -52.54 -45.52 66.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 11' ' ' PHE . 3.5 mp -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HE3' HD23 ' A' ' 47' ' ' LEU . 6.1 mttt -52.53 -34.51 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.41 -21.32 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 23' ' ' GLU . 10.3 mtt180 -74.27 0.34 14.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -71.6 -11.96 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 2.37 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 26.3 mttm -120.46 -115.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.065 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -168.14 173.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' HD12 ' A' ' 105' ' ' ILE . 59.4 tt0 -143.6 111.3 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.69 165.38 21.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 6.8 ttm180 176.09 120.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -37.86 127.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' N ' HG12 ' A' ' 101' ' ' VAL . 4.5 t80 -65.41 106.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -160.97 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.54 -40.22 50.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.99 -39.41 90.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.737 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.5 mmp_? -66.18 -30.57 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.75 -35.93 81.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -26.2 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 31' ' ' ARG . 76.5 mt -70.25 134.58 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -145.98 171.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.19 53.79 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.96 175.12 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 49' ' ' VAL . 16.7 t -134.43 139.36 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.419 ' HB ' HG22 ' A' ' 49' ' ' VAL . 8.0 mt -111.92 144.23 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' MET . 1.9 t -111.6 147.67 34.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HD21 ' A' ' 12' ' ' LEU . 22.9 m-85 -128.66 131.19 48.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 12' ' ' LEU . 12.9 mm-40 58.57 36.86 25.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.16 -62.52 2.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.46 30.92 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -33.8 61.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.603 ' HB3' HD23 ' A' ' 12' ' ' LEU . 1.3 tm? -151.92 122.22 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 1.1 mmtp -109.56 143.94 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.656 HG11 HG21 ' A' ' 15' ' ' ILE . 11.8 m -131.79 158.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -128.3 119.46 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.28 137.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.8 -43.73 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.6 176.42 7.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.406 HG13 HG22 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -124.11 145.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.848 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.8 mtp180 -143.56 142.58 31.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.56 142.45 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.525 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 21.5 m-85 -131.12 -176.49 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.72 -45.03 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.6 t -155.28 169.14 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.803 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.73 -37.4 84.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.56 -36.27 69.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.99 -37.85 66.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.668 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.9 mtp -69.67 -46.97 64.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.715 HD11 ' HE2' ' A' ' 86' ' ' TYR . 2.3 mt -68.96 -30.18 68.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.0 mm-40 -75.35 -43.33 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -64.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.53 -52.46 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.89 126.41 2.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.867 ' CD1' HG11 ' A' ' 76' ' ' VAL . 15.0 tp -58.29 -58.82 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.39 -13.24 60.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 2.4 m-20 -95.33 11.61 32.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.065 HG22 HG22 ' A' ' 22' ' ' ILE . 54.6 t -140.27 -47.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.817 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -123.44 92.52 48.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.34 4.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 123.57 -32.28 4.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.867 HG11 ' CD1' ' A' ' 69' ' ' LEU . 7.8 p -39.07 149.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -84.9 -37.3 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.415 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.9 m -165.8 167.51 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 83' ' ' ILE . 28.3 mt -56.21 -38.48 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -46.26 83.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.54 -37.19 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.03 50.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -54.76 -41.18 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -38.09 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.69 -53.75 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.715 ' HE2' HD11 ' A' ' 64' ' ' LEU . 21.6 m-85 -61.17 -20.39 62.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -47.17 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -74.26 -26.19 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -87.24 -55.15 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -109.01 138.65 45.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 145.91 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -40.66 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -53.2 60.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.591 ' HA ' HD13 ' A' ' 26' ' ' LEU . 8.8 tt0 -64.8 -53.15 51.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -59.05 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -101.02 -54.93 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.62 -141.32 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.803 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.7 t -121.95 152.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.3 p -137.17 111.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.668 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -82.74 99.09 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.544 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.0 OUTLIER -88.95 116.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.748 ' HG3' HD11 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -76.0 112.91 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -117.95 161.89 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.644 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -143.77 103.77 4.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.655 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.98 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -97.69 78.25 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 110' ' ' TYR . 1.2 tp10 -132.0 11.71 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 76.0 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 1.5 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.1 116.77 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 1' ' ' MET . 11.4 m95 -102.29 144.41 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.77 150.21 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.407 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 3.5 mtm -151.88 154.55 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.9 71.46 0.48 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.923 HD21 ' CG ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -75.72 -113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -163.13 160.09 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.4 -54.89 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.02 -41.97 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.756 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.1 -26.58 59.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.964 HD22 ' HB2' ' A' ' 47' ' ' LEU . 24.0 mt -65.68 -46.25 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -26.57 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 17' ' ' LEU . 12.1 mt -64.12 -43.11 96.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG21 HG11 ' A' ' 49' ' ' VAL . 1.6 mp -56.58 -45.62 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.46 -24.8 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 14' ' ' LEU . 29.7 mt -80.56 -49.01 11.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.11 3.35 10.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.4 OUTLIER -70.01 -29.68 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 9.05 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -131.23 -105.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.038 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -165.17 -179.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.712 ' N ' HG23 ' A' ' 22' ' ' ILE . 1.4 pp20? -143.15 139.33 30.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.41 150.71 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.8 tpt180 179.26 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -37.22 143.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.758 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.3 t80 -71.19 70.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.03 -179.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.54 -44.39 96.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -65.6 -48.74 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.2 tpt180 -57.01 -31.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 3.6 mtp180 -64.33 -39.88 94.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -75.42 -23.39 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 31' ' ' ARG . 88.4 mt -63.64 148.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 163.76 26.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.94 -27.34 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 72.6 m-20 -71.18 -179.51 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.569 HG22 ' HB2' ' A' ' 50' ' ' ARG . 61.6 t -136.77 144.81 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 3' ' ' TRP . 3.2 mt -121.17 101.32 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -78.22 146.92 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.923 ' CG ' HD21 ' A' ' 7' ' ' LEU . 14.8 m-85 -129.19 136.65 50.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.843 ' HG3' HD11 ' A' ' 12' ' ' LEU . 4.7 mm-40 52.35 43.76 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.69 -63.74 3.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.65 28.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -76.68 -36.07 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.964 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -141.61 112.38 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.3 mmtp -109.76 135.32 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG12 ' HB3' ' A' ' 107' ' ' PRO . 6.4 m -136.73 146.44 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.569 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -127.48 125.86 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.624 HG13 ' CG2' ' A' ' 103' ' ' ILE . 17.1 t -52.75 145.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.24 -40.25 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -163.19 160.82 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -116.53 149.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -142.07 160.33 40.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG13 ' CG1' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -135.02 139.47 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.539 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 24.0 m-85 -132.71 179.82 5.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -75.98 -46.28 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.76 168.64 25.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.726 ' CG ' ' CD2' ' A' ' 86' ' ' TYR . 2.4 m-85 -57.24 -37.74 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.627 ' HD3' HD11 ' A' ' 83' ' ' ILE . 6.2 tpp180 -55.68 -48.89 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -62.35 -30.16 70.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.539 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 12.9 mtp -75.81 -47.79 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.548 HD22 ' HA ' ' A' ' 69' ' ' LEU . 53.4 mt -68.48 -35.33 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.28 -46.0 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 9.6 ttpp -78.77 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' MET . 1.4 tm-20 -60.72 -50.6 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.91 124.4 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 HG21 ' A' ' 76' ' ' VAL . 17.4 tp -55.73 -60.69 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.45 -14.34 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.475 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 4.6 m-20 -91.99 6.37 46.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 22' ' ' ILE . 90.1 t -134.93 -46.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.016 HD23 ' HB ' ' A' ' 76' ' ' VAL . 3.8 tp -125.24 92.54 47.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.21 -28.88 5.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.016 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.2 p -39.92 149.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -85.41 -35.86 21.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.444 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 m -167.81 165.71 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.694 HG12 HD22 ' A' ' 69' ' ' LEU . 1.3 mm -52.99 -40.78 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -43.72 93.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -38.84 92.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.44 -50.68 58.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.627 HD11 ' HD3' ' A' ' 61' ' ' ARG . 6.4 mt -56.19 -38.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.55 -43.74 96.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.8 -36.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.726 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.7 m-30 -74.74 -26.46 59.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -39.77 59.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -61.1 -47.44 86.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.3 -54.24 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -99.78 149.15 23.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -71.84 150.78 43.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -34.55 61.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -51.48 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' CE ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.86 -41.86 71.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.5 tm-20 -64.93 -52.28 57.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -64.3 -14.44 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -56.03 5.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.77 -55.1 2.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.71 -141.37 12.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.3 t -131.39 155.28 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.758 HG21 ' HD1' ' A' ' 27' ' ' TYR . 3.0 m -136.92 106.78 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.49 98.01 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.624 ' CG2' HG13 ' A' ' 51' ' ' VAL . 2.1 mt -95.06 122.74 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 44.2 tt0 -82.37 106.74 14.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.539 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -99.2 159.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.591 ' O ' HD13 ' A' ' 108' ' ' LEU . 3.7 pt-20 -144.54 109.19 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.83 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.98 119.61 5.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -101.51 58.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -117.69 -142.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' OD2' ' A' ' 38' ' ' ASP . 4.4 ptt? . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.488 0.185 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.02 108.32 1.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 1' ' ' MET . 12.8 m95 -91.99 149.05 21.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.76 125.24 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 mtt -127.74 -170.2 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.736 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -151.47 150.56 22.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.026 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -174.73 161.09 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.59 138.85 17.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.82 -36.49 58.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.72 -34.39 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.729 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -73.55 -38.82 65.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.981 HD23 ' HB2' ' A' ' 47' ' ' LEU . 5.0 mp -53.91 -42.73 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -34.29 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.9 mt -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 mp -63.19 -47.79 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.913 ' HE2' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -66.71 -22.37 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.37 -47.56 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -77.22 3.27 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.2 pttm -70.1 -30.21 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.84 8.51 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 7.8 mttp -132.44 -104.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.033 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -162.99 179.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.709 ' N ' HG23 ' A' ' 22' ' ' ILE . 38.9 tt0 -143.58 112.05 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -89.68 152.27 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 179.38 108.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -36.94 132.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.742 ' HD1' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -65.86 163.76 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -168.43 -177.32 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.89 -50.35 73.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -57.88 -47.15 83.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.766 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -41.25 60.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.68 -25.78 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 31' ' ' ARG . 70.1 mt -74.74 125.54 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 166.73 24.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.84 49.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -164.15 -170.78 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 39.2 t -139.01 145.4 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -123.84 115.22 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 57.9 p -87.53 135.45 33.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.026 ' CD1' HD21 ' A' ' 7' ' ' LEU . 8.4 m-85 -112.15 120.01 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 16.4 mm-40 68.49 44.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.12 -63.91 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.79 28.87 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' HD22 ' A' ' 12' ' ' LEU . 4.2 tmtm? -76.61 -39.78 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.981 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.09 112.57 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 5.6 mmtp -105.01 131.01 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' HB3' ' A' ' 107' ' ' PRO . 3.4 m -129.12 157.32 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -130.6 116.08 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.404 HG21 ' CG2' ' A' ' 34' ' ' ILE . 90.1 t -48.58 134.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -44.36 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.81 172.31 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.786 HG13 HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -126.07 149.89 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -150.63 154.02 36.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 101' ' ' VAL . 45.0 t -130.8 145.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.541 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 26.4 m-85 -133.08 -178.26 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -46.29 29.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 167.87 29.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.825 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.66 -36.75 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -36.82 73.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -71.46 -32.46 68.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 67' ' ' GLU . 2.3 mtp -74.97 -50.22 17.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.535 HD22 HD12 ' A' ' 69' ' ' LEU . 1.2 mt -60.47 -31.59 70.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.26 -47.4 20.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.88 -67.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 63' ' ' MET . 65.6 mm-40 -58.27 -42.66 86.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 116.97 122.65 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.031 HD11 HG11 ' A' ' 76' ' ' VAL . 10.9 tp -52.72 -60.31 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.2 -11.74 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.493 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 30.6 m-20 -95.64 5.96 50.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.033 HG22 HG22 ' A' ' 22' ' ' ILE . 59.2 t -136.19 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.99 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -118.73 89.32 37.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 125.52 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.42 -35.7 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.031 HG11 HD11 ' A' ' 69' ' ' LEU . 5.4 p -38.6 152.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -85.36 -35.33 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 m -166.73 164.68 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.645 ' O ' HD12 ' A' ' 83' ' ' ILE . 28.9 mt -52.74 -37.05 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -47.6 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.73 -36.91 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.583 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -53.84 -49.68 57.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -55.74 -40.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.05 -40.57 77.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 73' ' ' LEU . 1.7 t -60.81 -40.59 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.795 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 19.1 m-85 -74.94 -20.64 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -46.45 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 8.6 ptp180 -69.92 -33.8 72.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 2.4 m-85 -82.49 -55.05 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -105.5 143.26 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -63.8 145.11 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.13 77.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.07 -53.33 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CD ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.74 -43.67 72.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.575 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.2 tm-20 -63.24 -52.51 61.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -19.55 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' GLU . 23.6 ttmt -67.82 -58.28 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.11 -55.58 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 126.78 -139.5 11.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.825 HG21 ' N ' ' A' ' 60' ' ' PHE . 3.0 t -128.31 154.44 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.862 HG12 HG22 ' A' ' 56' ' ' VAL . 30.1 m -137.34 106.63 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.494 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -80.45 98.57 7.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.786 HG22 HG13 ' A' ' 54' ' ' ILE . 6.1 pt -96.19 138.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' HA ' HD13 ' A' ' 22' ' ' ILE . 3.4 tt0 -95.49 122.58 38.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.788 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.3 OUTLIER -111.87 176.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.429 ' O ' HD23 ' A' ' 108' ' ' LEU . 3.3 tp10 -160.78 102.62 1.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.521 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -75.03 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER -100.58 54.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.0 -11.61 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.94 143.95 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -113.8 155.95 24.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.971 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.09 128.76 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 7.3 mtt -130.84 176.44 8.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.53 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -142.18 137.02 7.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.067 HD21 ' CD2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -166.13 157.39 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -45.26 144.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.76 -37.79 74.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.7 -45.33 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.829 ' HB3' HD12 ' A' ' 7' ' ' LEU . 2.0 m-85 -62.52 -45.1 94.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 47' ' ' LEU . 7.5 mp -50.61 -47.56 58.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.5 mt -70.68 -31.79 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.521 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.6 mp -62.35 -41.99 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.0 -42.95 84.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -69.56 -48.12 61.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -76.59 4.31 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 1.6 pttt -69.3 -28.31 66.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 9.02 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 2.8 mttm -129.76 -101.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.778 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -163.22 176.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.681 ' N ' HG23 ' A' ' 22' ' ' ILE . 13.8 tt0 -142.38 76.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -51.75 172.23 0.27 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 159.43 117.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.19 135.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.7 t80 -74.7 107.82 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -102.52 -169.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.9 -43.27 75.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -45.73 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -63.37 -31.47 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 10.2 mtp180 -63.27 -40.83 98.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -22.83 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CG2' HG21 ' A' ' 51' ' ' VAL . 23.8 mt -70.6 141.18 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 171.97 5.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.33 55.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.3 177.84 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 50.7 t -136.31 150.45 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CG2' ' HG3' ' A' ' 5' ' ' MET . 5.2 mt -127.43 132.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -104.24 124.75 49.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 1.067 ' CD2' HD21 ' A' ' 7' ' ' LEU . 5.0 m-85 -101.24 126.08 47.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 64.84 41.34 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.74 -62.45 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.21 28.93 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' HD22 ' A' ' 12' ' ' LEU . 5.8 tmtm? -76.72 -39.42 51.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.824 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -130.5 117.16 19.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.6 mmtp -111.01 112.11 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.7 HG12 ' HB3' ' A' ' 107' ' ' PRO . 18.4 m -114.43 152.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -126.91 114.19 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 34' ' ' ILE . 72.4 t -50.01 130.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.27 167.01 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.67 149.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -151.81 144.97 24.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.758 HG13 HG12 ' A' ' 101' ' ' VAL . 3.0 t -125.27 141.81 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CG ' ' CG ' ' A' ' 63' ' ' MET . 24.9 m-85 -125.34 178.15 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -75.33 -45.6 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -158.9 158.56 33.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.809 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -52.6 -32.3 40.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -40.74 93.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.61 -28.02 63.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.972 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -75.43 -47.1 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -67.65 -33.98 76.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -76.23 -47.91 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -78.59 -65.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -56.85 -49.62 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.66 125.65 2.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.837 HD11 HG11 ' A' ' 76' ' ' VAL . 56.7 tp -53.59 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.52 -11.96 60.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 10.6 m120 -95.26 18.94 11.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 22' ' ' ILE . 55.7 t -146.8 -55.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.865 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -122.4 94.4 47.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.21 7.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.54 -31.22 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.865 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.5 p -38.93 150.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -84.92 -37.82 20.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -166.95 169.95 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.567 ' O ' HD12 ' A' ' 83' ' ' ILE . 3.1 mm -54.4 -39.09 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -49.53 75.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -53.2 -49.68 55.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mt -58.88 -42.5 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -56.04 -38.02 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.568 HG11 HD11 ' A' ' 73' ' ' LEU . 2.1 t -63.01 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.749 ' OH ' HD21 ' A' ' 64' ' ' LEU . 14.9 m-85 -75.28 -24.38 57.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -74.73 -43.03 57.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -63.66 -42.84 98.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.56 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 11.6 m-85 -82.53 -55.1 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -103.02 143.57 32.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.8 148.31 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 0.3 OUTLIER -74.23 -28.94 61.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -52.95 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.02 83.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.7 OUTLIER -62.1 -53.41 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -15.74 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -100.45 -54.56 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.14 -159.73 19.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.794 HG21 ' N ' ' A' ' 60' ' ' PHE . 1.7 t -113.77 153.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.758 HG12 HG13 ' A' ' 56' ' ' VAL . 31.4 m -137.46 114.64 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.972 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -87.8 98.67 11.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.553 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -95.94 127.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.15 108.83 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.629 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -101.82 163.13 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.675 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.4 tp10 -143.06 100.94 5.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.7 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -90.91 61.51 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -112.57 -27.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.244 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.193 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -117.75 158.03 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -141.03 139.98 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -127.58 138.55 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 24.0 mtt -150.17 111.9 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.668 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -79.69 156.67 40.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.997 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -170.48 -179.12 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.751 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 157.77 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -39.3 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.14 -46.02 89.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.997 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.34 -29.1 70.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.002 HD22 ' HB2' ' A' ' 47' ' ' LEU . 79.8 mt -67.48 -51.08 55.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.99 -32.43 70.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.87 -45.67 93.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG21 HG11 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -56.39 -38.83 57.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.12 -28.35 69.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.9 -22.34 27.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CB ' HD11 ' A' ' 105' ' ' ILE . 3.3 mtt-85 -77.73 1.45 20.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -72.35 -11.67 60.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -127.29 3.71 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 35.1 mmtt -116.67 -113.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.036 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.16 173.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.626 ' N ' HG23 ' A' ' 22' ' ' ILE . 5.1 tt0 -144.15 125.45 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.51 165.82 22.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 ptm85 176.74 137.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.656 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -37.46 111.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -50.85 115.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.99 -175.94 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.91 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 2.3 tpp180 -58.76 -43.21 90.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 1.8 mtt180 -54.25 -40.87 68.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -25.27 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 51' ' ' VAL . 96.5 mt -74.76 141.14 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 162.59 55.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 98.86 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.08 -26.97 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.2 m-20 -75.6 -176.24 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 50' ' ' ARG . 96.5 t -136.75 145.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 51' ' ' VAL . 1.4 mp -124.17 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.453 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 46.8 t -94.2 136.02 34.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.689 ' HB3' HD21 ' A' ' 12' ' ' LEU . 16.0 m-30 -112.62 131.24 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' OE2' ' CA ' ' A' ' 6' ' ' GLY . 24.2 mm-40 58.22 49.67 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.07 -60.24 4.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.72 30.67 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HD2' HD13 ' A' ' 12' ' ' LEU . 3.4 tmtm? -76.03 -40.19 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.002 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.19 115.98 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.3 mmtp -109.46 126.65 53.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 107' ' ' PRO . 18.5 m -131.61 152.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.721 ' HB2' HG22 ' A' ' 39' ' ' VAL . 3.6 tmm_? -130.78 127.5 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' CG2' ' A' ' 34' ' ' ILE . 41.1 t -59.67 144.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -41.44 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.22 152.23 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.496 ' CG1' HG22 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -105.12 150.08 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 87.7 mtt180 -154.35 136.08 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 101' ' ' VAL . 41.4 t -116.04 147.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 41.2 m-85 -132.92 179.34 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -76.48 -45.48 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -154.65 171.14 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.765 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -62.77 -37.99 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.74 -43.62 80.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.2 -33.62 75.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.612 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -75.29 -47.75 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.897 HD22 HD12 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -71.07 -32.26 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.8 mm-40 -76.37 -45.27 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -82.94 -64.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.5 OUTLIER -59.89 -53.52 56.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.57 129.59 3.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.897 HD12 HD22 ' A' ' 64' ' ' LEU . 8.5 tp -63.12 -59.3 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -11.99 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 3.7 m120 -96.08 6.84 47.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.036 HG22 HG22 ' A' ' 22' ' ' ILE . 71.4 t -137.51 -51.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.956 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.0 OUTLIER -116.78 83.66 14.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.79 -35.9 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.956 ' HB ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -43.39 157.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -85.52 -31.64 22.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t -176.81 171.88 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -55.46 -33.43 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -52.15 56.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.49 -31.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.447 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -60.22 -45.59 95.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 1.6 mt -61.94 -27.85 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.04 -37.49 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.4 t -65.28 -34.38 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 2.5 m-30 -77.6 -14.48 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -75.69 -50.27 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 2.2 ptm180 -67.1 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 3.6 m-85 -87.48 -55.41 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.26 -161.7 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -153.25 174.31 14.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -76.44 -35.39 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -54.95 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.55 -47.59 73.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.566 ' CD ' HG22 ' A' ' 100' ' ' VAL . 5.5 tt0 -65.43 -51.21 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -56.82 -18.42 12.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -72.49 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -102.24 -55.55 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.09 -179.37 16.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.765 HG21 ' N ' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -98.74 122.24 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 27' ' ' TYR . 10.1 p -105.08 107.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.612 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -83.82 98.43 9.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.496 HG22 ' CG1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -96.8 134.54 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' A' ' 22' ' ' ILE . 2.9 tt0 -84.68 106.25 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.979 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -94.5 142.54 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -133.12 99.69 14.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.76 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.0 108.04 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.69 71.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -149.52 20.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.8 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.501 0.191 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.91 151.68 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -124.18 134.98 53.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.19 150.98 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.428 ' HE1' HG21 ' A' ' 40' ' ' ILE . 6.5 mtm -153.68 -178.93 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.55 147.42 17.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.4 pt? -172.57 171.91 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.93 162.29 4.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 12' ' ' LEU . 2.4 tt0 -65.54 -42.13 92.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.74 -36.3 82.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -71.38 -27.78 63.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.893 HD13 ' HG2' ' A' ' 46' ' ' LYS . 2.2 mt -64.35 -43.93 93.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.28 -30.2 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 5.9 mt -52.6 -33.98 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.689 HG21 HG11 ' A' ' 49' ' ' VAL . 1.8 mp -65.8 -46.61 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -25.67 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.01 -46.97 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HD2' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -76.98 4.25 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.8 pttp -68.89 -29.56 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -85.66 5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.4 mttt -126.78 -107.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.831 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -163.65 179.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.711 ' N ' HG23 ' A' ' 22' ' ' ILE . 46.7 tt0 -143.15 116.7 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 154.71 21.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 178.88 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -37.23 133.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.63 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.1 t80 -65.74 77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.25 -165.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 2.1 mt-10 -75.23 -51.79 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -36.13 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NH1' HD11 ' A' ' 103' ' ' ILE . 3.0 mmt180 -61.14 -49.78 75.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 8.1 ptp180 -64.68 -24.13 67.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -74.44 -31.33 62.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.724 ' CG2' HG21 ' A' ' 51' ' ' VAL . 90.0 mt -74.94 124.31 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -119.01 165.84 15.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -74.98 79.35 2.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.23 49.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.21 -171.19 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.649 HG22 ' HB2' ' A' ' 50' ' ' ARG . 76.4 t -137.01 146.99 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.4 mt -119.14 148.92 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 44' ' ' GLY . 33.1 t -125.98 147.38 49.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.703 ' HB3' HD21 ' A' ' 12' ' ' LEU . 58.3 m-85 -126.29 136.53 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.821 ' HG3' HD11 ' A' ' 12' ' ' LEU . 7.3 mm-40 61.69 17.83 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.422 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 102.86 -55.75 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.28 27.18 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.893 ' HG2' HD13 ' A' ' 12' ' ' LEU . 16.3 tptt -71.67 -45.07 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 107' ' ' PRO . 1.4 tm? -149.19 119.16 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -102.92 143.45 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 HG21 ' A' ' 15' ' ' ILE . 34.5 m -137.45 169.79 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HB2' HG22 ' A' ' 39' ' ' VAL . 7.1 ttp85 -144.25 125.48 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.724 HG21 ' CG2' ' A' ' 34' ' ' ILE . 60.4 t -60.07 143.13 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -42.02 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.45 162.88 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.734 HG13 HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -121.16 148.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.03 147.5 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.783 HG13 ' CG1' ' A' ' 101' ' ' VAL . 2.1 t -123.37 146.5 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 49.7 m-85 -132.36 -178.97 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -76.11 -46.49 28.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 169.46 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.805 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -58.95 -36.26 74.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -55.9 -44.55 78.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.56 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.557 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 4.5 mtp -75.7 -47.34 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 69' ' ' LEU . 19.0 mt -69.52 -31.17 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.1 mm-40 -76.19 -49.35 17.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -80.69 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 3.9 tp10 -58.65 -50.75 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 126.6 127.71 3.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.035 HD11 HG21 ' A' ' 76' ' ' VAL . 16.8 tp -57.53 -60.02 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.23 -16.0 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.476 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 2.8 m-20 -91.94 13.04 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.831 HG22 HG22 ' A' ' 22' ' ' ILE . 87.9 t -138.07 -50.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.927 HD23 ' HB ' ' A' ' 76' ' ' VAL . 3.5 tp -124.48 98.86 37.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.87 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 114.55 -27.53 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.035 HG21 HD11 ' A' ' 69' ' ' LEU . 10.0 p -38.37 148.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -83.24 -37.3 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.425 ' H ' HG22 ' A' ' 76' ' ' VAL . 14.4 t -170.86 172.94 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.552 ' O ' HD12 ' A' ' 83' ' ' ILE . 33.5 mt -58.38 -38.62 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.09 84.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -38.92 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -44.8 60.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.8 mt -62.96 -33.57 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.27 -38.81 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.07 -40.9 90.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.805 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 6.8 m-30 -70.37 -33.25 71.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -34.63 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -61.69 -45.5 93.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.89 -54.42 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -91.14 146.98 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 141.92 46.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.58 -34.79 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -53.91 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -45.38 84.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tt0 -57.22 -52.31 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.42 -15.29 62.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -58.82 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -97.52 -55.2 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.9 -150.22 17.29 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.752 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.0 t -115.55 156.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.783 ' CG1' HG13 ' A' ' 56' ' ' VAL . 7.3 m -137.6 107.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.508 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -79.49 98.13 6.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.734 HG22 HG13 ' A' ' 54' ' ' ILE . 15.9 pt -101.33 133.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.0 tt0 -92.67 114.03 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.783 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -104.18 170.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.694 ' O ' HD13 ' A' ' 108' ' ' LEU . 3.2 tm-20 -144.58 103.44 4.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.667 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.01 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -84.3 60.6 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -143.06 16.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.471 0.177 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -127.39 156.46 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -140.22 147.09 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 107.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 2.7 tt0 -132.32 169.49 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' SER . 24.8 mmt -152.24 175.47 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.05 128.41 3.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.003 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.1 pt? -164.07 177.97 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 166.74 23.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.5 tt0 -73.0 -40.41 65.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.33 -35.38 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 1.003 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.91 -27.24 60.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.882 HD22 ' CB ' ' A' ' 47' ' ' LEU . 20.1 mt -62.85 -43.56 98.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.17 -35.98 70.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 ' HG2' ' A' ' 74' ' ' PRO . 21.9 mt -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.609 HG22 ' HG3' ' A' ' 107' ' ' PRO . 3.7 mp -58.66 -43.47 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -56.48 -31.03 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.83 -23.89 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 4.2 mtt180 -74.91 1.37 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.37 -27.73 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -109.78 -1.5 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 16.5 mttt -116.67 -116.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.087 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -168.71 178.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.693 ' N ' HG23 ' A' ' 22' ' ' ILE . 8.1 pt-20 -144.67 129.28 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.06 159.39 20.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 103' ' ' ILE . 0.6 OUTLIER 169.67 117.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.278 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -39.87 144.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.24 127.27 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -116.68 178.96 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.38 -34.89 73.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.65 -44.24 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.0 mmt180 -58.06 -41.85 84.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -50.79 -39.7 53.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.37 -29.39 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 31' ' ' ARG . 70.9 mt -69.39 150.28 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -146.22 163.12 31.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.95 95.44 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.59 -28.6 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -75.54 -172.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 49' ' ' VAL . 96.5 t -135.87 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mt -116.89 116.39 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 4.7 t -84.3 145.69 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.947 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.812 ' HB3' HD21 ' A' ' 12' ' ' LEU . 5.1 m-85 -125.17 131.4 53.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.61 43.4 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.71 -61.45 3.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.54 28.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.688 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -77.77 -39.45 44.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.882 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -132.61 116.39 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -106.56 138.65 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.809 HG12 ' HB3' ' A' ' 107' ' ' PRO . 1.8 m -139.94 161.26 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HB2' HG22 ' A' ' 39' ' ' VAL . 21.0 ttt180 -137.1 118.06 14.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.245 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 36' ' ' PRO . 39.5 t -48.46 145.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -41.66 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 155.68 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.28 144.6 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.844 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -145.1 147.0 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.1 t -122.66 145.73 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.77 ' CE1' ' HB3' ' A' ' 102' ' ' ALA . 16.1 m-85 -132.49 179.6 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -46.36 27.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.439 ' HA ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -159.16 -175.6 5.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.602 ' CD1' HG11 ' A' ' 100' ' ' VAL . 24.0 m-85 -70.23 -40.14 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HD3' HG22 ' A' ' 79' ' ' ILE . 10.5 tpp85 -55.6 -45.32 77.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -66.67 -41.39 88.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.715 ' CE ' ' HB2' ' A' ' 102' ' ' ALA . 13.3 mtp -61.37 -50.91 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -65.29 -30.73 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -83.49 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.6 mm-40 -61.4 -54.66 40.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.597 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 131.41 127.34 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.887 ' CD1' HG11 ' A' ' 76' ' ' VAL . 37.5 tp -51.79 -61.6 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.76 -12.48 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 36.8 m-20 -94.89 8.5 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.087 HG22 HG22 ' A' ' 22' ' ' ILE . 88.3 t -137.66 -49.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.976 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -125.88 94.87 41.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.97 127.94 11.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 110.07 -31.2 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.976 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.2 p -38.3 152.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -86.0 -35.7 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.7 m -168.83 168.67 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.559 HG22 ' HD3' ' A' ' 61' ' ' ARG . 27.4 mt -55.74 -40.35 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.54 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.34 -39.51 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.84 -44.69 61.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.8 mt -60.79 -41.96 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -55.12 -36.9 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 t -65.19 -48.01 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.683 ' CE1' HD13 ' A' ' 73' ' ' LEU . 12.7 m-85 -67.66 -22.17 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -47.69 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 2.6 ptm85 -69.61 -35.33 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.0 m-85 -76.1 -55.53 5.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.08 153.27 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.63 148.21 46.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -37.39 61.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -54.28 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -36.2 76.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.564 ' OE2' ' CZ ' ' A' ' 60' ' ' PHE . 9.6 tp10 -65.2 -54.04 35.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -15.68 62.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -59.01 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.04 -53.26 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.62 -124.77 4.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.602 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.3 t -144.96 150.66 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.8 p -136.33 107.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.77 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . . . -83.51 97.97 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.557 HG13 HG22 ' A' ' 101' ' ' VAL . 2.8 mt -89.95 125.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.29 106.68 15.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' 105' ' ' ILE . 0.2 OUTLIER -99.8 162.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -138.17 93.49 11.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.809 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.44 88.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' TYR . 2.2 tp10 -162.24 -141.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLU . 1.2 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -111.51 141.38 45.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -131.01 138.59 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.495 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 7.4 mtt -151.24 -175.07 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.662 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -154.15 147.38 16.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.898 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -167.13 158.52 12.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -50.51 144.32 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -42.38 66.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.23 -36.19 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -74.18 -27.11 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.597 HD13 ' HD2' ' A' ' 46' ' ' LYS . 66.9 mt -65.93 -49.64 67.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.67 -34.22 61.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -56.4 -45.16 80.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -57.34 -37.57 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HE2' HD21 ' A' ' 47' ' ' LEU . 5.0 mtmt -65.53 -29.02 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.54 -18.5 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 4.7 mtt180 -84.29 1.15 46.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -10.46 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -130.09 6.7 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 24.9 mttt -125.7 -114.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.002 HG22 HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -166.98 172.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.621 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -143.27 114.73 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -85.12 173.01 48.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 158.46 104.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.3 133.66 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.797 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -59.03 129.3 41.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -126.03 -175.25 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.81 -51.24 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -39.45 86.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.7 tpp180 -64.41 -44.19 92.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -50.98 -38.14 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.03 -28.96 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 31' ' ' ARG . 79.8 mt -69.61 121.87 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.24 161.48 56.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 84.78 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.99 49.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.88 -166.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -139.04 148.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 51' ' ' VAL . 2.1 mt -122.14 113.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 1.2 m -89.89 127.6 36.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.898 ' CD1' HD21 ' A' ' 7' ' ' LEU . 28.8 m-85 -105.87 141.93 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 46.22 40.49 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.34 -62.64 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.3 29.51 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.597 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.615 HD21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -135.85 112.63 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 10.6 mmtp -102.82 133.55 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG11 HG21 ' A' ' 15' ' ' ILE . 32.7 m -136.91 153.82 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HB3' HD21 ' A' ' 108' ' ' LEU . 4.6 ttp180 -131.11 119.83 22.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 36' ' ' PRO . 61.0 t -50.64 138.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 -43.11 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.98 157.39 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.47 144.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -137.94 160.72 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.595 HG22 HG12 ' A' ' 101' ' ' VAL . 4.9 t -135.39 140.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CG ' ' HG2' ' A' ' 63' ' ' MET . 17.8 m-85 -133.12 -176.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -76.45 -46.28 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.54 ' HA ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -165.8 -178.61 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 95' ' ' GLU . 32.1 m-85 -60.58 -38.72 85.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 9.4 tpp180 -55.46 -52.88 62.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -65.44 -29.22 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.555 ' HG2' ' CG ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -72.9 -49.66 28.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.713 HD13 HD13 ' A' ' 69' ' ' LEU . 63.1 mt -71.97 -32.23 67.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 72.9 mt-10 -75.47 -43.71 47.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 19.5 ttmt -83.05 -64.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.1 tm-20 -61.45 -52.63 63.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.617 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 131.26 129.59 3.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.934 HD11 HG21 ' A' ' 76' ' ' VAL . 24.0 tp -60.89 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.49 -12.36 60.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 71' ' ' ASN . 1.3 m-80 -92.91 6.3 48.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 22' ' ' ILE . 94.1 t -133.99 -52.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.788 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -117.58 95.61 47.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.23 -25.98 8.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.934 HG21 HD11 ' A' ' 69' ' ' LEU . 7.0 p -39.43 148.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -85.42 -35.1 21.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.443 ' H ' HG22 ' A' ' 76' ' ' VAL . 8.7 m -167.4 167.81 13.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 83' ' ' ILE . 58.3 mt -55.32 -44.09 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.88 99.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -38.79 92.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.75 -49.48 78.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -55.46 -41.92 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.39 -38.32 74.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.21 -41.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.713 ' CE1' HD13 ' A' ' 73' ' ' LEU . 18.0 m-85 -75.1 -25.15 58.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -43.78 51.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -66.36 -37.74 85.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.501 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 7.8 m-85 -83.77 -55.2 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -97.79 136.26 38.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.15 153.54 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.15 -35.81 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -55.11 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -45.4 77.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -58.88 -51.44 70.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -65.53 -20.31 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -66.99 -60.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -101.53 -55.46 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 133.06 -126.51 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 59' ' ' SER . 8.1 t -141.26 145.29 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.797 HG21 ' CD1' ' A' ' 27' ' ' TYR . 27.3 m -137.2 108.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.429 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -74.79 98.48 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.482 HD13 ' HD2' ' A' ' 31' ' ' ARG . 1.5 mp -85.22 107.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.52 114.23 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 105' ' ' ILE . 1.9 pp -112.54 148.95 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -144.64 107.84 4.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.97 118.4 5.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -98.15 144.45 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.98 116.16 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 6.7 mtt -121.77 -175.04 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -151.97 150.66 22.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.957 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -174.7 178.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 155.6 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.22 -49.26 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.38 -34.04 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.957 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.23 -30.08 62.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.934 HD22 ' CB ' ' A' ' 47' ' ' LEU . 12.7 mt -65.79 -43.71 87.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -54.88 -35.46 64.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.61 -43.54 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.762 HG21 HG11 ' A' ' 49' ' ' VAL . 3.3 mp -59.04 -42.31 85.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -58.7 -29.75 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 -24.69 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 3.5 mtt180 -77.11 0.81 20.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -72.51 -13.25 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -126.32 2.58 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 16.4 mttt -123.04 -113.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.891 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.41 171.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.716 ' HB3' HD12 ' A' ' 105' ' ' ILE . 4.6 tt0 -143.23 92.86 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' CA ' ' HE1' ' A' ' 63' ' ' MET . . . -66.35 170.52 30.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.2 ttt180 171.64 114.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -39.41 135.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.544 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -69.24 89.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.29 -167.18 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.74 -47.37 39.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.69 -39.65 85.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.6 mmp_? -57.17 -37.8 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -40.66 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -29.04 67.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' ARG . 96.3 mt -68.14 142.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 164.27 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.34 2.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.01 -30.22 1.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -75.31 171.72 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -134.37 131.03 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.442 HD12 HG23 ' A' ' 49' ' ' VAL . 2.6 mt -100.88 128.62 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -104.29 118.22 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.915 ' HB3' HD21 ' A' ' 12' ' ' LEU . 38.5 m-85 -96.75 137.44 35.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.527 ' HG3' HD11 ' A' ' 12' ' ' LEU . 25.1 mt-10 53.7 36.69 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.42 -61.57 3.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.11 28.08 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.779 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -75.79 -39.63 56.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.934 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -140.71 115.92 9.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 4.0 mmmm -107.17 136.59 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 107' ' ' PRO . 27.1 m -136.4 153.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.629 ' HB2' HG22 ' A' ' 39' ' ' VAL . 4.8 ttp180 -129.68 116.56 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.38 146.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.69 -40.17 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -174.1 166.98 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.12 149.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 101' ' ' VAL . 25.4 mtt-85 -157.93 122.23 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.58 151.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 10.7 m-85 -133.22 -179.19 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.15 -46.59 27.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 163.6 37.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.917 ' CD1' HG11 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.7 -37.68 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -38.52 70.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.31 -28.25 61.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.573 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 9.3 mtp -75.74 -50.26 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.763 HD21 ' OH ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -63.63 -31.69 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.98 -45.61 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -76.83 -66.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 72.6 mm-40 -60.12 -49.28 78.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 125.94 126.9 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.997 ' CD1' HG11 ' A' ' 76' ' ' VAL . 19.4 tp -55.25 -59.4 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.06 -23.57 65.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.422 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 12.1 m-80 -90.04 17.09 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.891 HG22 HG22 ' A' ' 22' ' ' ILE . 12.7 t -139.6 -48.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.844 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -129.43 96.94 26.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.44 4.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.91 -28.74 5.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.997 HG11 ' CD1' ' A' ' 69' ' ' LEU . 7.4 p -39.97 148.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -85.74 -36.11 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 m -168.36 164.97 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.73 -40.5 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -45.17 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.5 -39.63 94.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.93 -46.84 60.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -58.43 -41.74 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.5 -37.47 67.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 t -64.57 -48.86 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.763 ' OH ' HD21 ' A' ' 64' ' ' LEU . 13.3 m-30 -64.72 -21.85 66.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -75.59 -45.64 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -71.76 -32.06 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.401 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.77 -53.67 5.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.558 ' HB3' HD23 ' A' ' 26' ' ' LEU . 3.9 m-85 -111.32 146.4 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.83 145.72 55.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.468 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 42.9 tp10 -73.02 -38.01 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -53.78 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -42.19 78.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 17.0 tt0 -64.31 -52.95 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -16.47 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -74.62 -59.48 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.29 -55.47 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.5 -145.93 16.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.917 HG11 ' CD1' ' A' ' 60' ' ' PHE . 1.7 t -125.37 149.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.651 ' O ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -136.09 115.82 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.26 99.09 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -89.14 115.23 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 26.9 tt0 -74.91 110.44 9.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -105.31 165.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.855 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -145.79 97.24 4.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.838 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.855 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -117.67 147.22 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.981 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' SER . 1.1 pm0 -140.31 144.63 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 9.5 mtt -148.03 136.67 21.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.38 140.62 15.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.904 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -164.98 173.52 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.796 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -74.95 162.67 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -67.23 -45.13 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -34.4 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.904 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.26 -28.26 59.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.993 HD22 ' CB ' ' A' ' 47' ' ' LEU . 67.5 mt -66.93 -49.13 66.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -54.68 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.78 -45.17 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.676 HD12 HH11 ' A' ' 18' ' ' ARG . 0.7 OUTLIER -58.23 -37.23 61.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' HD21 ' A' ' 47' ' ' LEU . 5.0 ttmt -64.77 -30.12 71.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -85.03 -22.61 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HB2' HD11 ' A' ' 105' ' ' ILE . 7.1 mtt180 -77.78 0.94 21.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -73.3 -9.29 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -131.86 7.23 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 30.6 mttt -124.54 -111.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.915 HG22 HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -166.75 170.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.578 ' N ' HG23 ' A' ' 22' ' ' ILE . 15.0 tt0 -146.02 98.61 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.623 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -96.83 -178.87 34.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 161.01 129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.869 HD13 ' HA ' ' A' ' 95' ' ' GLU . 3.2 tp -37.43 124.81 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.733 ' HD1' HG21 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -62.15 172.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -178.52 -176.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.28 -50.18 64.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -66.79 -38.91 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.9 -53.19 50.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.584 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 ptp180 -63.89 -15.64 59.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 33' ' ' GLN . 5.9 tp60 -66.58 -42.98 86.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.005 HG22 HG21 ' A' ' 51' ' ' VAL . 10.3 mt -75.13 124.25 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -115.23 173.48 2.9 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.4 2.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.47 50.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.33 -169.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 49' ' ' VAL . 42.4 t -139.3 150.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.72 HD11 HG23 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -126.2 96.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 55.5 p -76.49 124.8 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.688 ' HB3' HD21 ' A' ' 12' ' ' LEU . 17.1 m-85 -100.86 150.8 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HG3' HD11 ' A' ' 12' ' ' LEU . 14.4 mm-40 45.2 47.65 10.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.11 -61.76 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.14 27.42 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -77.0 -40.09 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 109.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.993 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -135.61 118.8 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -106.89 141.52 37.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 40' ' ' ILE . 27.3 m -141.96 155.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.536 ' NH1' HD21 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -133.61 121.15 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.005 HG21 HG22 ' A' ' 34' ' ' ILE . 96.3 t -54.71 141.79 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -41.49 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 159.68 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.417 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -114.7 147.59 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.09 151.93 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.533 HG13 HG12 ' A' ' 101' ' ' VAL . 3.2 t -129.48 140.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.5 m-85 -126.63 -178.7 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -45.81 32.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -158.02 166.09 33.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.787 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -57.34 -36.18 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 2.3 ttm180 -56.87 -45.44 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -63.67 -32.92 74.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.925 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.3 mtp -74.99 -48.83 22.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD11 ' HE2' ' A' ' 86' ' ' TYR . 1.2 mt -68.11 -28.92 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.2 mm-40 -75.34 -49.51 18.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -64.95 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -54.89 -52.52 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.758 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.61 130.33 3.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.902 ' CD1' HG11 ' A' ' 76' ' ' VAL . 14.9 tp -63.97 -59.24 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.27 -8.14 29.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 10.1 m-20 -91.53 -11.12 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 22' ' ' ILE . 21.2 t -121.86 -40.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.9 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.2 tp -126.32 89.03 53.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.06 -25.67 8.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.902 HG11 ' CD1' ' A' ' 69' ' ' LEU . 6.7 p -39.82 152.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -83.57 -35.28 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.557 ' H ' HG22 ' A' ' 76' ' ' VAL . 9.6 m -172.51 165.8 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.56 ' O ' HD12 ' A' ' 83' ' ' ILE . 21.1 mt -53.75 -41.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -46.37 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.58 -39.39 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.31 64.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mp -62.38 -45.03 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -55.41 -37.51 67.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.96 -49.39 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.695 ' CE1' HD13 ' A' ' 73' ' ' LEU . 16.1 m-85 -66.79 -26.07 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -28.93 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -73.58 -39.13 64.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -92.89 -51.9 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -96.96 122.77 40.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.29 147.28 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.22 -30.1 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.19 -51.81 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.869 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -65.15 -53.28 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -18.93 65.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -59.24 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -100.44 -55.16 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 124.89 -160.09 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.787 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.2 t -107.05 157.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.733 HG21 ' HD1' ' A' ' 27' ' ' TYR . 17.3 m -137.62 107.55 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.925 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -78.22 98.12 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.451 HD13 ' CZ ' ' A' ' 31' ' ' ARG . 37.3 pt -99.41 122.69 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 114.34 15.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.904 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -108.76 145.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.02 105.88 6.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.524 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.536 HD21 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -115.8 143.83 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -125.46 149.12 48.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' SER . 3.3 mtt -151.51 -172.14 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.93 147.31 14.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.7 pt? -169.31 163.03 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.69 148.62 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -38.89 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.14 -34.84 79.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.28 -27.43 59.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.665 HD23 ' HB2' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -65.65 -33.99 77.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.89 -31.77 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.07 -45.78 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.794 HG21 HG11 ' A' ' 49' ' ' VAL . 3.0 mp -59.38 -44.61 92.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -33.14 55.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 17' ' ' LEU . 10.0 mt -85.37 -21.49 28.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 23' ' ' GLU . 14.0 mtt180 -71.59 0.1 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -72.59 -12.22 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -126.86 2.7 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mmtm -119.43 -115.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.142 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.7 172.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.839 ' HB3' HD12 ' A' ' 105' ' ' ILE . 82.0 tt0 -148.6 102.91 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -123.13 150.64 16.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 19.8 mtt180 -161.09 162.03 31.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.797 HD13 ' HA ' ' A' ' 95' ' ' GLU . 1.7 tp -55.65 109.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.834 ' CD2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -45.75 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 28.7 m-20 -169.26 173.57 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.9 -48.84 78.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -42.39 95.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.866 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -68.54 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -51.14 -42.27 60.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -27.3 68.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 31' ' ' ARG . 51.9 mt -73.62 130.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' CD ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -129.42 166.37 26.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.01 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.79 52.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.12 -170.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 13.3 t -136.74 150.94 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.31 140.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -115.33 135.92 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.635 ' CD1' HD22 ' A' ' 7' ' ' LEU . 38.5 m-85 -112.88 131.56 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' CG ' HD11 ' A' ' 12' ' ' LEU . 16.9 mm-40 61.37 40.99 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.52 -61.97 1.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.19 34.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.655 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.72 -40.23 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -134.29 123.63 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -107.06 138.06 43.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.807 HG12 ' HB3' ' A' ' 107' ' ' PRO . 32.9 m -136.8 158.86 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.43 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.503 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 59.7 t -64.3 142.3 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -41.67 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.7 163.66 9.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.762 HG13 HG22 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -120.53 149.07 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 3.0 mtt85 -151.83 154.58 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.65 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.4 t -126.19 144.55 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.3 m-85 -130.04 175.15 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -74.92 -44.01 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.69 167.11 31.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.939 ' O ' HD22 ' A' ' 64' ' ' LEU . 2.6 m-85 -56.42 -36.88 69.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -56.54 -48.7 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.98 -29.96 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.921 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 1.3 mtp -75.66 -49.58 17.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.939 HD22 ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.3 mm-40 -72.3 -44.41 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -84.77 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 22' ' ' ILE . 2.2 tp10 -60.36 -55.06 38.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.48 128.58 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.054 HD11 HG11 ' A' ' 76' ' ' VAL . 12.9 tp -59.25 -59.37 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.69 -8.64 29.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.456 ' HA ' ' CD ' ' A' ' 21' ' ' LYS . 8.2 m-80 -94.92 6.88 47.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.142 HG22 HG22 ' A' ' 22' ' ' ILE . 87.3 t -138.37 -53.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.928 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -115.68 87.48 17.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.84 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.24 -33.17 3.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 69' ' ' LEU . 2.9 p -38.47 155.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -85.22 -34.41 22.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -172.7 170.14 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.413 HG12 HD22 ' A' ' 69' ' ' LEU . 5.6 mt -57.06 -35.65 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -47.98 74.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.73 -37.58 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.73 -43.82 60.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.2 mt -63.95 -37.74 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -62.11 -37.35 84.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.33 -49.26 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.599 ' HE1' HD13 ' A' ' 73' ' ' LEU . 3.8 m-30 -60.81 -22.15 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -47.72 45.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -75.2 -20.97 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 1.3 m-85 -91.42 -55.59 3.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -115.17 148.03 39.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.18 144.54 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.03 -32.72 61.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -51.57 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.14 81.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.797 ' HA ' HD13 ' A' ' 26' ' ' LEU . 3.2 tm-20 -64.92 -53.07 52.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.23 -18.66 65.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -59.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -100.36 -55.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.55 -165.01 13.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.755 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.3 t -99.22 155.11 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.834 HG11 ' CD2' ' A' ' 27' ' ' TYR . 3.4 m -137.66 107.62 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.921 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -81.41 98.09 8.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.762 HG22 HG13 ' A' ' 54' ' ' ILE . 30.8 pt -96.99 134.64 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 8.3 tt0 -90.53 120.29 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.839 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -125.01 163.65 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.46 107.62 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.807 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.592 ' HB3' HG23 ' A' ' 40' ' ' ILE . 97.6 m95 -87.4 132.64 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.45 131.65 46.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 mmt -124.1 -159.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.33 58.13 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.076 HD21 ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -75.82 176.28 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.99 157.17 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.29 -50.18 74.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.96 -32.87 61.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -75.59 -28.16 58.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.826 HD22 ' CB ' ' A' ' 47' ' ' LEU . 37.9 mt -64.17 -46.76 82.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -31.61 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 74' ' ' PRO . 8.0 mt -60.57 -45.35 94.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.807 HG22 ' HG3' ' A' ' 107' ' ' PRO . 2.2 mp -57.81 -35.56 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -66.02 -35.16 79.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -20.12 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.479 ' CZ ' ' OE1' ' A' ' 23' ' ' GLU . 12.7 mtt180 -76.87 -0.56 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -74.46 -9.25 58.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -118.86 -7.73 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 66.1 mttt -115.69 -116.24 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.686 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.34 171.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.797 ' HB3' HD12 ' A' ' 105' ' ' ILE . 19.1 tp10 -145.35 103.01 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 102' ' ' ALA . . . -115.11 175.48 16.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.74 -178.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -65.48 130.71 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.766 ' HD1' HG21 ' A' ' 101' ' ' VAL . 5.6 t80 -71.06 75.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.96 -176.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 22.5 mm-40 -69.01 -46.6 67.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.67 87.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -58.0 -49.95 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 6.1 ptm180 -65.34 -20.33 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -32.35 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.689 ' CG2' HG21 ' A' ' 51' ' ' VAL . 49.4 mt -68.6 143.47 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.85 159.62 69.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.95 47.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.59 -171.96 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.3 t -136.63 146.31 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.641 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.1 mt -122.14 101.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' TRP . 9.3 p -76.45 147.6 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.076 ' CG ' HD21 ' A' ' 7' ' ' LEU . 16.2 m-30 -122.22 142.41 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG3' HD11 ' A' ' 12' ' ' LEU . 14.3 mm-40 47.96 40.84 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.89 -61.72 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.46 32.06 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.825 ' HD2' HD13 ' A' ' 12' ' ' LEU . 1.8 tmtt? -75.62 -40.33 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.826 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.99 115.42 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 12.0 mmtm -99.43 132.73 44.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 15' ' ' ILE . 32.6 m -133.99 154.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HB2' HG22 ' A' ' 39' ' ' VAL . 6.0 ttp180 -134.58 120.83 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.689 HG21 ' CG2' ' A' ' 34' ' ' ILE . 59.1 t -54.66 140.57 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -41.92 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 103' ' ' ILE . . . -170.37 166.22 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -120.19 149.67 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 1.5 mmt85 -150.9 149.47 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.889 HG13 ' CG1' ' A' ' 101' ' ' VAL . 1.8 t -125.09 145.97 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.533 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 40.3 m-85 -132.6 179.35 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.68 -45.5 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 178.99 9.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.69 ' CD1' HG11 ' A' ' 100' ' ' VAL . 4.8 m-85 -69.4 -43.45 73.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -55.3 -32.99 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -31.75 63.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.559 ' HG2' ' HB2' ' A' ' 102' ' ' ALA . 1.1 mtp -75.47 -50.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -65.74 -26.78 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.0 mm-40 -75.54 -39.9 57.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.6 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.59 -53.19 58.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' A' ' 71' ' ' ASN . . . 130.94 121.95 2.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.843 HD11 HG21 ' A' ' 76' ' ' VAL . 25.7 tp -48.87 -58.86 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.28 -14.45 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.45 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 72.6 m-20 -91.36 22.49 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 22' ' ' ILE . 72.2 t -152.46 -56.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.787 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -113.85 92.78 26.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.449 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 121.34 -26.0 6.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.843 HG21 HD11 ' A' ' 69' ' ' LEU . 4.9 p -39.82 150.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -85.18 -36.1 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 76' ' ' VAL . 19.3 m -170.37 165.76 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.468 ' N ' HD22 ' A' ' 69' ' ' LEU . 16.1 mt -53.05 -36.62 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -49.27 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.68 -40.21 91.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 86' ' ' TYR . . . -52.83 -39.77 56.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.5 mt -66.93 -33.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -66.53 -36.35 82.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.54 -41.76 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.77 ' HE1' HD13 ' A' ' 73' ' ' LEU . 1.9 m-30 -69.81 -29.41 66.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.01 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -85.04 -55.06 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -97.84 137.67 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 141.37 58.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -66.23 -42.47 88.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -55.03 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.08 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.6 OUTLIER -64.14 -53.14 54.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.34 -15.67 62.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.27 -51.84 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.98 -135.45 10.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.0 t -133.25 153.78 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.889 ' CG1' HG13 ' A' ' 56' ' ' VAL . 5.4 m -137.3 110.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.559 ' HB2' ' HG2' ' A' ' 63' ' ' MET . . . -82.24 97.7 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' ALA . 2.6 mp -89.78 135.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 16.7 tt0 -91.83 113.67 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.797 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -119.4 167.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.59 113.24 1.51 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.807 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.4 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.423 ' HB2' HG23 ' A' ' 40' ' ' ILE . 41.2 m95 -94.45 154.88 17.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.03 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -139.48 123.57 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.41 ' HG3' HG21 ' A' ' 40' ' ' ILE . 2.1 mmt -129.63 -175.29 3.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.71 142.32 9.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.8 pt? -168.43 149.73 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -40.64 139.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 -31.75 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.39 -36.13 77.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.77 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.07 -38.42 66.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.727 HD12 ' HG ' ' A' ' 7' ' ' LEU . 6.1 mp -55.2 -41.33 71.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -31.41 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 74' ' ' PRO . 18.8 mt -67.87 -44.66 76.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.73 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.6 mp -56.18 -45.42 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.594 ' HE2' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.82 -31.28 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 2.0 mt -85.67 -19.77 30.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 72' ' ' VAL . 6.8 mtt85 -73.93 0.56 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.68 -29.83 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 0.29 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HB3' ' C ' ' A' ' 71' ' ' ASN . 6.8 mptt -118.77 -114.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.95 175.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.66 ' N ' HG23 ' A' ' 22' ' ' ILE . 38.0 tt0 -144.55 99.42 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -86.06 -178.17 49.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mmm-85 158.91 121.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.04 133.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.588 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.0 t80 -61.78 101.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.19 -168.1 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.3 mt-10 -75.87 -41.83 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -41.93 86.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.79 -51.76 67.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 27' ' ' TYR . 15.5 ptp180 -63.86 -21.32 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -37.0 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.683 ' CG2' HG21 ' A' ' 51' ' ' VAL . 73.5 mt -75.08 160.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.14 164.11 24.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.0 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.57 -35.6 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.25 -179.47 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 49' ' ' VAL . 21.7 t -138.95 151.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.591 HD12 HG23 ' A' ' 49' ' ' VAL . 1.5 mt -120.08 152.12 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 5.0 m -124.75 125.29 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CD1' HD21 ' A' ' 7' ' ' LEU . 47.7 m-85 -98.13 151.85 19.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 39.14 40.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.87 -63.21 2.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.433 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -168.03 29.08 0.16 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -75.58 -31.48 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.73 HD21 ' CG2' ' A' ' 15' ' ' ILE . 44.0 tp -151.79 132.37 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -126.8 150.02 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 39' ' ' VAL . 17.8 m -140.13 160.0 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.707 ' NH1' HD22 ' A' ' 108' ' ' LEU . 8.9 ttm105 -128.57 116.58 19.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.683 HG21 ' CG2' ' A' ' 34' ' ' ILE . 79.4 t -54.61 133.49 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -44.22 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.02 157.53 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.579 HD11 HG12 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.75 149.36 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 10.8 mmm180 -142.7 155.5 44.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 101' ' ' VAL . 2.6 t -131.88 140.76 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 63' ' ' MET . 24.9 m-85 -132.22 178.29 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -45.44 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -154.01 166.27 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.847 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -57.92 -36.68 72.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.15 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.44 -42.9 91.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.845 ' HG2' ' HB2' ' A' ' 102' ' ' ALA . 1.4 mtp -61.86 -49.76 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.776 HD11 ' HE2' ' A' ' 86' ' ' TYR . 8.0 mt -66.5 -29.3 69.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.69 -43.11 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.09 -52.15 66.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.19 123.74 2.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.006 HD11 HG21 ' A' ' 76' ' ' VAL . 11.7 tp -56.59 -58.69 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.36 -18.82 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.415 ' C ' ' HB3' ' A' ' 21' ' ' LYS . 74.0 m-20 -89.8 12.37 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 22' ' ' ILE . 55.0 t -137.3 -58.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.681 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -112.42 97.36 39.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.55 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.97 117.18 4.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.54 -23.12 12.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.006 HG21 HD11 ' A' ' 69' ' ' LEU . 14.9 p -40.32 148.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -85.45 -37.11 20.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -167.36 165.56 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 83' ' ' ILE . 26.9 mt -54.98 -39.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -45.27 85.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -38.96 93.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.91 -50.39 61.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.3 mt -57.54 -40.68 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -57.62 -37.56 73.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.29 -49.48 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.776 ' HE2' HD11 ' A' ' 64' ' ' LEU . 17.3 m-85 -64.81 -30.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.46 -34.73 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -64.01 -48.02 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -79.42 -52.27 8.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -92.21 143.03 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.68 147.6 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -34.63 64.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -54.72 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -41.78 89.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.9 tm-20 -61.98 -52.56 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -65.07 -13.41 57.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -74.28 -59.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.26 -53.36 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.02 -133.31 8.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.847 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.8 t -133.04 151.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.567 HG21 ' HD1' ' A' ' 27' ' ' TYR . 12.7 m -137.27 108.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 63' ' ' MET . . . -74.15 98.24 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.579 HG12 HD11 ' A' ' 54' ' ' ILE . 2.9 mt -86.15 126.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 29.3 tt0 -93.17 106.62 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -107.01 173.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -154.88 101.32 2.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.631 ' CB ' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.97 104.31 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.707 HD22 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -101.7 144.6 30.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.1 140.06 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 mtt -140.02 -172.58 3.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.45 62.57 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.78 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -75.97 -175.67 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.3 38.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.2 tt0 -62.3 -49.8 74.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 -32.48 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -75.19 -32.53 61.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 42' ' ' PHE . 24.3 mt -60.94 -45.77 93.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.87 -34.06 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD22 ' HG2' ' A' ' 74' ' ' PRO . 19.0 mt -59.53 -44.99 93.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.847 HG21 HG11 ' A' ' 49' ' ' VAL . 2.6 mp -56.64 -37.03 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -64.13 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -21.89 29.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 mtt180 -78.45 1.61 21.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -72.46 -11.74 60.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.77 7.28 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 9.5 mttt -126.15 -115.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -168.19 178.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.707 ' N ' HG23 ' A' ' 22' ' ' ILE . 11.9 pt-20 -144.47 133.0 22.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 155.59 21.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 17.5 tpt180 175.88 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -38.56 141.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.624 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.8 t80 -70.79 86.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.89 -174.65 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -65.1 -44.31 89.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.1 mmt180 -56.82 -44.83 82.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 9.0 mtp-105 -51.7 -35.82 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -26.85 60.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 31' ' ' ARG . 55.9 mt -73.07 146.67 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -147.14 163.41 28.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.508 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.38 -34.44 0.38 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.49 -173.31 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 49' ' ' VAL . 66.3 t -136.03 155.91 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 49' ' ' VAL . 3.7 mt -125.45 112.63 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -92.03 119.57 31.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.992 ' HB3' HD21 ' A' ' 12' ' ' LEU . 13.4 m-85 -101.35 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.934 ' HG3' HD11 ' A' ' 12' ' ' LEU . 49.1 mt-10 45.51 32.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.69 -62.34 1.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 48' ' ' LYS . . . -166.55 26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -76.6 -36.47 57.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.857 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -144.43 113.07 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' CE ' ' HA2' ' A' ' 45' ' ' GLY . 8.7 mmtp -107.88 135.74 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.847 HG11 HG21 ' A' ' 15' ' ' ILE . 18.1 m -135.61 151.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 39' ' ' VAL . 32.1 ttm180 -127.62 121.48 30.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 36' ' ' PRO . 66.2 t -54.66 138.71 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 -42.06 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' CD1' HG12 ' A' ' 103' ' ' ILE . 2.0 tt -118.15 149.9 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 6.0 mtm180 -142.97 164.33 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG13 HG12 ' A' ' 101' ' ' VAL . 1.5 t -135.78 139.75 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 53.1 m-85 -132.29 178.73 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.02 -45.69 33.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.8 178.5 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 84.0 m-85 -61.29 -37.63 83.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -55.71 -56.97 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.97 -32.13 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.548 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 11.3 mtp -75.26 -43.12 53.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -73.16 -32.89 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -76.31 -45.4 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -80.63 -64.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -60.89 -51.44 69.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.625 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.62 126.14 2.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.935 HD11 HG21 ' A' ' 76' ' ' VAL . 18.6 tp -56.92 -60.25 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.82 -16.62 64.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ILE . 3.4 m-20 -89.41 11.28 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 22' ' ' ILE . 83.2 t -137.33 -58.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.766 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -111.05 98.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.478 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -75.08 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.53 -25.04 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.935 HG21 HD11 ' A' ' 69' ' ' LEU . 13.8 p -38.81 146.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -38.98 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -162.15 165.85 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.72 ' O ' HD12 ' A' ' 83' ' ' ILE . 34.5 mt -55.5 -44.41 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.51 79.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.84 73.13 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.409 1.068 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.4 mp -57.73 -35.9 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -60.21 -35.97 76.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 73' ' ' LEU . 1.3 t -65.15 -42.39 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 19.4 m-85 -72.96 -25.2 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 92' ' ' GLU . 1.3 tpp85 -74.55 -38.83 62.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -65.24 -44.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -80.14 -55.16 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -96.02 142.06 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.02 151.03 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 4.0 pt-20 -75.51 -25.56 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -55.63 6.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -44.79 86.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 8.1 tm-20 -62.35 -49.6 74.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 19.7 mmtt -57.34 -17.12 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -101.52 -55.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 123.83 -141.6 13.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.514 HG21 ' N ' ' A' ' 60' ' ' PHE . 1.8 t -123.92 124.51 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.624 HG21 ' HD1' ' A' ' 27' ' ' TYR . 10.6 m -106.19 107.05 21.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.06 97.84 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 101' ' ' VAL . 2.5 mt -93.51 123.16 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.34 108.44 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.573 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -110.8 158.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.598 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.5 mm-40 -145.45 112.86 4.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.769 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.94 119.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -94.67 145.21 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -136.49 128.61 29.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.621 ' CE ' HG21 ' A' ' 40' ' ' ILE . 4.4 mtt -131.11 -174.78 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.553 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -149.42 148.03 18.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.914 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -168.13 -178.86 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -73.69 155.26 39.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.79 -49.17 78.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.04 -33.41 62.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.914 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.27 -29.37 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.95 HD22 ' HB2' ' A' ' 47' ' ' LEU . 16.5 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.41 -30.81 70.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 14' ' ' LEU . 10.7 mt -59.12 -37.57 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.3 mp -60.98 -44.68 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' HD21 ' A' ' 47' ' ' LEU . 4.6 ttmt -67.24 -28.45 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.9 -48.02 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.66 3.97 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -69.05 -30.67 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -84.9 5.59 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 66.3 mmtt -126.23 -103.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.079 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -163.82 179.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.708 ' N ' HG23 ' A' ' 22' ' ' ILE . 8.7 tt0 -143.54 112.33 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -80.7 165.99 48.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER 170.27 110.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -38.78 135.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.663 ' HD1' HG11 ' A' ' 101' ' ' VAL . 2.1 t80 -71.23 86.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.1 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -72.88 -47.93 41.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -41.3 87.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -58.03 -52.2 66.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 13.2 ptm180 -64.97 -23.86 67.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.06 65.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.4 mt -75.19 147.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 163.05 53.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.77 51.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.02 -170.71 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 33.8 t -139.33 147.22 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -122.65 106.75 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 100.0 p -82.76 123.27 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.906 ' CD1' HD21 ' A' ' 7' ' ' LEU . 21.2 m-85 -97.21 149.57 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 40.91 42.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.99 -62.6 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -173.26 29.9 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.853 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -76.63 -40.36 49.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.95 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.53 116.01 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -108.03 137.74 45.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 107' ' ' PRO . 4.2 m -136.98 144.9 30.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -121.59 122.23 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 54.6 t -57.45 145.24 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.08 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -42.63 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.59 159.62 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.569 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -111.57 148.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.734 ' C ' HG23 ' A' ' 101' ' ' VAL . 5.8 mmt180 -148.42 113.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -95.31 146.55 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 34.3 m-85 -129.82 -177.57 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -46.43 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -156.86 167.36 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -59.63 -38.27 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.9 ttm180 -56.46 -37.04 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.69 -37.8 67.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.551 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 2.8 mtp -64.98 -49.72 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 69' ' ' LEU . 40.6 mt -65.93 -29.7 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.3 mm-40 -75.9 -43.74 43.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' MET . 5.8 mm-40 -60.11 -53.18 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.48 125.07 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.949 ' CD1' HG11 ' A' ' 76' ' ' VAL . 15.2 tp -53.36 -60.83 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.27 -9.33 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.472 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 1.5 m-20 -95.07 3.04 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.079 HG22 HG22 ' A' ' 22' ' ' ILE . 47.0 t -134.93 -46.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.969 HD23 ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.81 92.44 48.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.82 8.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 109.3 -26.98 13.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.969 ' HB ' HD23 ' A' ' 73' ' ' LEU . 11.3 p -39.51 152.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -85.55 -37.44 19.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.449 ' H ' HG22 ' A' ' 76' ' ' VAL . 15.0 t -168.79 171.47 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.1 mt -58.3 -38.91 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -46.79 78.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.51 -40.71 97.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -46.28 60.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -58.65 -39.84 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.11 -38.15 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.72 -45.03 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.786 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 11.5 m-30 -65.32 -32.9 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.32 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -53.28 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -76.33 -49.69 16.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.559 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -101.65 143.74 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 142.21 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -30.94 67.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.39 -52.88 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -38.84 87.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.563 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -64.97 -53.24 49.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -65.51 -15.26 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -74.54 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.34 -55.01 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.31 -154.13 19.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.757 HG11 ' CD1' ' A' ' 60' ' ' PHE . 1.6 t -120.83 151.35 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.734 HG23 ' C ' ' A' ' 55' ' ' ARG . 4.9 p -137.65 116.53 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.36 98.64 11.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.569 ' CG2' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -89.44 133.1 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -89.5 107.94 19.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.587 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -103.71 158.08 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.786 ' O ' HD23 ' A' ' 108' ' ' LEU . 2.8 pt-20 -137.86 101.05 8.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.792 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.04 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -149.23 139.03 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -116.37 169.1 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 1.9 mtm -174.08 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.46 140.29 18.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -165.11 -178.97 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.34 155.81 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.416 ' HG3' ' CE ' ' A' ' 46' ' ' LYS . 12.8 tt0 -62.44 -40.27 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 -36.86 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.659 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -72.68 -30.3 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.022 HD22 ' CB ' ' A' ' 47' ' ' LEU . 54.3 mt -68.1 -48.56 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.883 ' O ' HD12 ' A' ' 17' ' ' LEU . 34.2 tt0 -56.25 -29.29 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' HG2' ' A' ' 74' ' ' PRO . 12.9 mt -66.36 -43.86 84.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.794 HD12 HH11 ' A' ' 18' ' ' ARG . 1.0 OUTLIER -56.65 -38.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -65.59 -31.7 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -82.44 -19.61 38.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.794 HH11 HD12 ' A' ' 15' ' ' ILE . 9.0 mtt180 -80.68 0.4 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -73.1 -22.61 60.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -3.85 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 3.3 mttt -113.7 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.024 ' CG2' HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -168.04 175.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.667 ' N ' HG23 ' A' ' 22' ' ' ILE . 4.5 tt0 -142.36 108.22 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -77.42 179.49 50.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 158.48 135.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -59.4 142.36 52.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.688 ' N ' HD12 ' A' ' 26' ' ' LEU . 13.8 t80 -75.48 68.56 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.46 -166.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.6 mt-10 -76.23 -44.12 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -67.13 -41.13 86.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -51.65 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 12.9 ptm180 -63.71 -28.16 69.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -29.49 60.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.709 ' CG2' HG21 ' A' ' 51' ' ' VAL . 83.8 mt -72.18 123.66 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 161.64 22.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 86.86 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.56 -30.91 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.45 -171.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.0 t -139.92 146.18 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 49' ' ' VAL . 6.3 mt -120.5 102.29 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -80.19 147.69 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.862 ' HB3' HD21 ' A' ' 12' ' ' LEU . 19.7 m-85 -128.19 133.9 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 56.07 38.22 29.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -63.06 2.38 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.34 28.59 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.524 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.12 -37.3 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.022 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -139.39 112.25 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 9.4 mmtm -105.59 131.95 52.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 107' ' ' PRO . 17.1 m -133.79 151.21 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' HB2' HG22 ' A' ' 39' ' ' VAL . 31.1 ttt180 -129.05 116.49 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 ' CG2' ' A' ' 34' ' ' ILE . 95.4 t -46.12 123.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -47.93 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.84 148.66 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.362 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.73 141.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.821 ' O ' HG23 ' A' ' 101' ' ' VAL . 6.6 mmt85 -143.77 144.57 31.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.35 145.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 48.3 m-85 -133.16 -178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -46.16 31.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -160.13 176.76 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD1' HG11 ' A' ' 100' ' ' VAL . 65.6 m-85 -61.52 -39.26 90.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.8 tpp85 -56.13 -48.83 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.47 -33.13 74.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.542 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 8.9 mtp -72.08 -50.2 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 69' ' ' LEU . 21.6 mt -70.5 -27.11 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' OE2' ' CD1' ' A' ' 79' ' ' ILE . 15.5 mm-40 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -54.87 -47.27 74.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 121.99 128.3 3.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.811 HD11 HG11 ' A' ' 76' ' ' VAL . 16.1 tp -61.45 -59.92 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.59 -11.06 57.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.507 HD22 ' N ' ' A' ' 71' ' ' ASN . 1.9 m-80 -94.36 8.68 41.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.024 HG22 ' CG2' ' A' ' 22' ' ' ILE . 92.7 t -136.18 -54.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.92 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -118.55 93.21 45.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 116.28 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.05 -25.51 8.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.92 ' HB ' HD23 ' A' ' 73' ' ' LEU . 5.8 p -39.5 153.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.55 -34.3 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m -171.43 166.57 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.726 ' O ' HD12 ' A' ' 83' ' ' ILE . 20.1 mt -53.44 -43.34 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -43.77 98.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -38.34 90.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.51 -48.85 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.726 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mp -58.57 -40.54 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.09 -38.18 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.78 -50.58 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.659 ' HE2' HD11 ' A' ' 64' ' ' LEU . 19.5 m-85 -66.06 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -73.53 -30.88 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.88 -53.41 56.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -79.22 -49.49 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.58 142.48 27.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.51 145.09 54.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.79 -27.67 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.92 -54.46 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.37 77.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 2.0 tm-20 -64.5 -49.43 71.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -63.8 -14.38 52.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -75.23 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -97.36 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.29 -155.63 20.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.8 t -112.68 155.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 55' ' ' ARG . 3.3 p -135.86 108.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 22' ' ' ILE . . . -80.93 98.08 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.473 HG13 HG22 ' A' ' 101' ' ' VAL . 2.9 mp -95.29 113.0 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.54 106.88 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.918 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -97.56 147.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.49 108.49 3.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.607 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 120.69 6.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -112.26 146.93 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 159.73 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.38 -175.59 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.719 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -157.3 140.43 7.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -171.39 146.76 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.23 144.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.91 -35.49 66.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.19 -33.27 75.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.418 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -75.25 -26.34 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.013 HD22 ' CB ' ' A' ' 47' ' ' LEU . 18.4 mt -68.73 -51.09 45.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -25.64 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 mt -68.0 -36.57 80.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.7 mp -60.72 -41.3 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 3.5 ttmt -67.32 -50.86 58.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -46.67 87.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.513 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -78.29 4.57 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -68.96 -29.16 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.16 9.55 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.8 mttt -128.85 -107.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.66 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -161.5 173.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.604 ' N ' HG23 ' A' ' 22' ' ' ILE . 9.2 tt0 -141.49 108.35 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -77.02 176.0 53.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER 161.24 100.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -36.46 123.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -55.87 158.51 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.09 -174.0 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.89 -49.25 68.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -47.21 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.52 -37.79 87.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.59 -36.22 66.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 31' ' ' ARG . 77.1 mt -72.67 129.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 160.49 66.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.92 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.72 47.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.91 -170.48 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -136.02 141.1 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.82 130.1 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.31 139.29 34.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.798 ' CD1' HD21 ' A' ' 7' ' ' LEU . 24.6 m-85 -120.08 147.61 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' PHE . 23.4 mm-40 38.04 40.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 -62.66 1.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.8 30.36 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.17 -40.06 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.013 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -134.84 116.86 15.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.7 mmtp -110.53 126.5 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 107' ' ' PRO . 4.8 m -127.9 163.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.641 ' HB2' HG22 ' A' ' 39' ' ' VAL . 3.3 ttm180 -135.11 118.87 17.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.89 141.21 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.72 -42.7 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.3 163.65 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.753 HD12 HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -118.28 144.74 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -141.91 155.61 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.735 HG13 HG12 ' A' ' 101' ' ' VAL . 1.8 t -135.07 139.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 29.2 m-85 -129.7 -179.35 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.69 -45.72 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -159.28 167.12 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.785 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -56.99 -34.83 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.4 tmm_? -56.93 -38.61 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.0 -36.08 66.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.653 ' SD ' HG12 ' A' ' 100' ' ' VAL . 4.5 mtp -70.75 -48.58 53.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD11 ' HE2' ' A' ' 86' ' ' TYR . 14.5 mt -67.63 -30.72 70.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 11.1 mm-40 -76.28 -50.15 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.12 -65.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -56.88 -50.71 71.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 128.67 129.82 3.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 76' ' ' VAL . 17.0 tp -63.85 -59.85 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.806 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.54 -13.95 62.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.728 HD22 ' N ' ' A' ' 71' ' ' ASN . 0.9 OUTLIER -93.46 11.9 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 68' ' ' GLY . 86.0 t -137.94 -49.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.812 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.04 93.73 43.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.95 -34.86 3.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 69' ' ' LEU . 9.9 p -38.56 148.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -83.37 -38.7 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -161.86 167.23 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 69' ' ' LEU . 54.8 mt -55.81 -35.08 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -49.25 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.74 -37.54 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.427 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -52.9 -46.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.543 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 6.6 mt -62.07 -38.57 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -60.43 -36.34 77.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.785 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 8.8 m-30 -68.2 -20.91 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -43.43 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.93 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -111.46 156.04 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.54 143.92 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.43 -32.8 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.06 -54.67 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.847 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.9 tm-20 -63.16 -53.17 57.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -13.92 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.2 -58.94 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -99.99 -54.51 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.23 -164.78 18.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.728 HG21 ' N ' ' A' ' 60' ' ' PHE . 3.6 t -100.39 151.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.735 HG12 HG13 ' A' ' 56' ' ' VAL . 17.2 m -137.02 106.78 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.569 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -80.09 98.84 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.753 HG12 HD12 ' A' ' 54' ' ' ILE . 2.1 mp -94.16 139.08 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.7 tt0 -95.09 116.23 28.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.631 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -111.58 158.21 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.14 102.25 7.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.684 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.98 98.65 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 108' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.446 ' HB2' HG23 ' A' ' 40' ' ' ILE . 19.5 m95 -110.65 158.87 18.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.51 153.09 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.443 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.8 mtm -159.34 158.78 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.61 55.45 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.723 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 2.2 pt? -75.48 171.09 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.52 ' O ' HD13 ' A' ' 12' ' ' LEU . 13.0 mt-30 -58.32 149.73 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -65.52 -41.54 93.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.26 -36.02 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.624 ' HB3' HD12 ' A' ' 7' ' ' LEU . 1.7 m-85 -71.16 -41.17 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 47' ' ' LEU . 10.7 mp -50.6 -39.77 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.748 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -70.73 -24.55 62.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 14' ' ' LEU . 13.2 mt -74.76 -42.35 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.452 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -56.41 -35.87 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HE2' HD21 ' A' ' 47' ' ' LEU . 1.6 ttmt -65.06 -28.82 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -85.29 -24.46 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HB2' HD11 ' A' ' 105' ' ' ILE . 1.6 mtt180 -76.79 1.37 17.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -71.23 -11.92 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -3.31 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -117.33 -112.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.982 ' CG2' HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -167.21 -167.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.762 ' N ' HG23 ' A' ' 22' ' ' ILE . 17.5 tt0 -148.92 127.23 12.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.38 143.24 16.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . 4.7 tpp180 177.59 105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.12 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.732 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.5 t80 -75.36 93.05 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.07 178.74 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.31 -41.23 96.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -47.39 76.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -56.97 -39.63 74.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 27' ' ' TYR . 3.7 ttt180 -54.36 -46.28 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -21.62 59.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.545 ' CG2' HG21 ' A' ' 51' ' ' VAL . 28.4 mt -70.68 149.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 161.19 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.79 -28.45 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.507 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 8.5 m-20 -75.08 -178.2 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 50' ' ' ARG . 35.6 t -138.86 151.56 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.446 HG23 ' HB2' ' A' ' 3' ' ' TRP . 1.3 mp -124.96 127.84 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.6 OUTLIER -93.24 123.93 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 40.7 m-85 -107.13 139.66 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 47.51 43.18 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.31 -63.98 2.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.03 28.24 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -76.89 -36.95 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.709 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.68 126.37 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.67 130.61 51.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 107' ' ' PRO . 12.3 m -130.18 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.579 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -123.25 118.07 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.545 HG21 ' CG2' ' A' ' 34' ' ' ILE . 85.2 t -44.71 118.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -50.05 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.35 152.96 17.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.608 HD12 HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -109.14 143.55 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 1.1 mmm180 -140.38 153.4 46.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 101' ' ' VAL . 16.6 t -126.77 140.75 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 32.8 m-85 -132.98 173.22 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -75.19 -43.24 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 176.35 12.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.678 ' CD1' HG11 ' A' ' 100' ' ' VAL . 2.6 m-85 -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.5 tpp85 -56.49 -45.62 80.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.63 -31.06 71.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.753 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 2.5 mtp -75.42 -49.23 19.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 69' ' ' LEU . 8.1 mt -72.1 -30.22 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.1 mm-40 -75.32 -44.61 44.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -83.39 -64.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.8 OUTLIER -60.64 -53.32 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.725 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 127.71 128.14 3.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 76' ' ' VAL . 12.0 tp -58.36 -59.3 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -66.4 -9.83 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.571 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.3 m-20 -95.68 10.05 38.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.982 HG22 ' CG2' ' A' ' 22' ' ' ILE . 48.5 t -137.42 -50.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.827 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -119.83 97.74 49.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 112.49 -17.17 23.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 69' ' ' LEU . 5.3 p -39.33 152.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.69 -32.75 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.589 ' H ' HG22 ' A' ' 76' ' ' VAL . 3.7 m -175.96 168.29 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.466 ' N ' HD22 ' A' ' 69' ' ' LEU . 16.5 mt -56.22 -44.29 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -42.44 92.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.16 -38.1 85.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.21 -47.88 71.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.49 -42.87 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.95 -38.82 68.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.01 -54.62 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.68 ' HE1' HD13 ' A' ' 73' ' ' LEU . 4.9 m-30 -60.86 -22.99 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -48.72 23.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -71.03 -23.15 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.1 m-85 -88.74 -55.26 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -103.58 154.18 19.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 144.85 48.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.56 -44.4 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.58 74.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.69 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -64.5 -53.6 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -21.44 66.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -59.75 3.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -99.35 -55.46 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.88 -122.26 3.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.678 HG11 ' CD1' ' A' ' 60' ' ' PHE . 3.1 t -140.28 144.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.83 ' O ' HD12 ' A' ' 103' ' ' ILE . 4.8 m -135.36 107.15 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.753 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -76.23 97.5 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 101' ' ' VAL . 2.8 mp -88.94 123.8 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE1' HD11 ' A' ' 22' ' ' ILE . 5.9 tt0 -76.89 106.29 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.968 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.1 pp -103.12 134.75 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.16 111.23 9.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.597 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 116.34 4.56 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -100.5 148.57 24.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -135.48 119.16 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.477 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -124.65 118.72 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.73 61.08 4.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.809 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -74.6 158.05 34.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.3 142.29 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.5 -48.51 65.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.77 -37.14 59.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.898 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -69.52 -40.87 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.02 HD23 ' HB2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -50.34 -34.72 24.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.58 -30.89 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' C ' ' HD2' ' A' ' 18' ' ' ARG . 13.9 mt -61.45 -45.58 93.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.941 HG22 ' HG3' ' A' ' 107' ' ' PRO . 4.8 mp -56.05 -37.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -32.72 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.27 -25.69 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 72' ' ' VAL . 9.5 mtt-85 -76.49 1.38 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.4 -12.03 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -2.3 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 20.8 mttt -115.05 -114.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.172 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.027 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.3 174.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' HD12 ' A' ' 105' ' ' ILE . 6.1 tp10 -154.45 99.38 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.49 172.17 16.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HD3' HD12 ' A' ' 103' ' ' ILE . 0.0 OUTLIER 177.08 145.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.863 HD13 ' HA ' ' A' ' 95' ' ' GLU . 2.7 tp -40.21 117.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 3.6 t80 -63.77 90.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.45 -165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.96 -44.75 60.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.1 -42.39 98.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.818 ' HA ' HD12 ' A' ' 34' ' ' ILE . 4.3 mmp_? -62.74 -34.27 76.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 11.6 ttt180 -57.08 -43.27 81.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -27.8 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 31' ' ' ARG . 67.3 mt -70.35 135.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -146.41 163.24 30.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 102.82 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.81 -34.22 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.22 -178.74 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' A' ' 50' ' ' ARG . 79.4 t -137.08 146.34 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -119.47 124.34 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.53 103.07 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.809 ' CD1' HD21 ' A' ' 7' ' ' LEU . 19.8 m-85 -81.2 135.47 35.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.749 ' HG3' HD11 ' A' ' 12' ' ' LEU . 36.3 mt-10 55.76 41.26 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.3 -60.19 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.69 29.52 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.777 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -75.95 -40.35 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.02 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -140.57 112.66 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 1.4 mmmm -98.89 139.27 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -141.5 148.26 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.763 ' HB2' HG22 ' A' ' 39' ' ' VAL . 17.1 ttt-85 -127.86 114.01 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 36' ' ' PRO . 65.6 t -44.61 141.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 -41.39 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.88 158.04 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 103' ' ' ILE . 7.4 tt -118.04 149.74 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 15.7 mmt180 -142.35 161.38 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.631 HG22 HG12 ' A' ' 101' ' ' VAL . 4.1 t -133.43 143.4 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 36.2 m-85 -133.16 178.61 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -45.39 38.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 170.59 21.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.785 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.3 m-85 -60.82 -37.29 81.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -44.57 82.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.02 -40.53 95.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.92 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 1.7 mtp -62.86 -50.1 72.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -66.66 -31.42 72.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.26 -37.44 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -65.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 mm-40 -63.28 -54.37 38.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.97 122.47 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.936 ' CD1' HG11 ' A' ' 76' ' ' VAL . 8.8 tp -52.52 -59.78 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.96 -17.51 64.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.411 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 68.7 m-20 -95.28 14.61 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 22' ' ' ILE . 45.3 t -139.76 -46.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.882 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -129.32 96.24 28.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.72 8.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 113.97 -32.22 6.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.936 HG11 ' CD1' ' A' ' 69' ' ' LEU . 11.2 p -39.79 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -85.74 -34.78 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.43 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.9 m -169.0 166.64 11.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.717 ' O ' HD12 ' A' ' 83' ' ' ILE . 69.5 mt -52.82 -39.39 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.22 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -38.21 86.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.77 -50.39 65.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -54.94 -39.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.69 -38.34 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -65.18 -40.03 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 10.2 m-85 -74.91 -24.83 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.7 -45.64 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 16.3 ptp180 -66.88 -36.82 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.8 m-85 -77.85 -53.25 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -108.87 146.53 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.31 147.38 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.65 -37.59 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -50.23 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.28 -41.22 75.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.863 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.17 -52.85 52.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -65.34 -15.81 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -59.28 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.52 -54.2 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.01 -147.71 17.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.754 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.2 t -124.38 153.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.631 HG12 HG22 ' A' ' 56' ' ' VAL . 10.9 m -137.29 107.04 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.92 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -79.01 97.5 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.522 HD12 ' HD3' ' A' ' 25' ' ' ARG . 2.2 mp -88.69 135.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.4 tt0 -94.45 111.59 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -106.27 174.34 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.568 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -162.18 100.21 1.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.941 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.98 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -87.29 154.62 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.54 127.68 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.46 179.1 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.27 49.86 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.714 HD21 ' CD1' ' A' ' 42' ' ' PHE . 1.7 pp -75.38 179.57 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.684 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.61 153.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 12' ' ' LEU . 11.7 tt0 -67.98 -42.76 80.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.7 -33.7 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.8 m-85 -74.83 -28.83 60.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.971 HD22 ' CB ' ' A' ' 47' ' ' LEU . 93.5 mt -63.65 -51.64 64.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.631 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.3 pt-20 -54.67 -24.81 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD22 ' HG2' ' A' ' 74' ' ' PRO . 16.5 mt -75.46 -42.29 53.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' CG2' ' HG3' ' A' ' 107' ' ' PRO . 1.1 mp -56.47 -39.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.82 -29.48 70.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 13' ' ' GLU . 1.4 mt -85.49 -25.96 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 2.5 mtt180 -75.06 -1.18 21.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.92 -6.32 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -102.89 -25.89 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.967 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -125.42 -116.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.967 HD13 ' O ' ' A' ' 21' ' ' LYS . 1.4 mm -145.67 -149.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.701 ' H ' HG22 ' A' ' 22' ' ' ILE . 3.3 pt-20 -152.15 -173.47 4.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -125.76 155.91 19.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 160.27 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -61.82 151.52 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.686 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.9 t80 -75.53 90.95 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.88 -165.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -76.62 -52.97 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -38.02 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' NH2' HG12 ' A' ' 103' ' ' ILE . 4.9 mmm180 -65.65 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -33.75 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.77 -36.12 83.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' HG21 ' A' ' 51' ' ' VAL . 45.5 mt -74.26 148.49 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -147.15 175.42 2.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.06 83.78 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.27 53.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.18 176.2 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -136.13 150.17 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.62 123.43 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -96.98 104.2 16.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.714 ' CD1' HD21 ' A' ' 7' ' ' LEU . 45.8 m-85 -79.54 144.1 34.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.752 ' HG3' HD11 ' A' ' 12' ' ' LEU . 1.7 mm-40 45.55 49.14 11.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.17 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.89 29.26 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -39.58 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.971 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -140.11 119.0 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 10.7 mmtp -105.87 145.5 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 39' ' ' VAL . 28.3 m -146.98 155.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.671 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -133.41 126.99 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.495 HG21 ' CG2' ' A' ' 34' ' ' ILE . 18.8 t -59.65 133.22 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.79 -45.59 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.29 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 tt -102.88 149.12 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.1 mmt180 -147.44 126.07 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.4 t -109.32 143.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 35.2 m-85 -128.82 179.55 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.19 -45.6 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.06 173.39 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CD1' HG11 ' A' ' 100' ' ' VAL . 1.9 m-85 -64.65 -39.91 94.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.63 -35.51 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -73.49 -36.44 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.775 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.1 mtp -66.81 -49.53 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.617 HD21 ' OH ' ' A' ' 86' ' ' TYR . 27.0 mt -67.57 -29.89 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.5 mm-40 -75.74 -43.59 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.744 ' OE1' ' HB1' ' A' ' 102' ' ' ALA . 1.8 mt-10 -59.78 -53.1 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 128.04 120.82 2.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.89 ' CD1' HG11 ' A' ' 76' ' ' VAL . 13.0 tp -49.59 -60.61 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.42 -20.3 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.06 11.93 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 68' ' ' GLY . 75.4 t -137.2 -51.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.961 HD23 ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.58 95.5 48.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.561 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.97 115.24 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.49 -29.39 5.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.961 ' HB ' HD23 ' A' ' 73' ' ' LEU . 9.9 p -40.04 151.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -85.39 -39.06 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -167.08 166.11 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.541 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.7 mt -53.31 -38.33 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -49.87 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.93 -36.83 80.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.44 -47.3 69.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.513 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.2 mt -60.22 -38.29 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -61.23 -37.73 84.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.08 -40.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.677 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.3 m-30 -70.08 -31.24 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -33.23 62.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -45.28 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.76 -54.27 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.75 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -94.02 147.05 23.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.21 149.99 38.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -30.91 60.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -51.53 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -44.39 86.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER -62.99 -53.14 58.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -16.7 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -71.74 -59.29 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.77 -54.71 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.31 -167.32 21.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.719 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.2 t -104.97 151.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.734 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.5 p -137.65 108.31 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.775 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -77.81 97.71 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.44 HG12 ' NH2' ' A' ' 31' ' ' ARG . 2.9 mt -84.03 133.5 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.619 ' HA ' HG23 ' A' ' 22' ' ' ILE . 52.3 tt0 -89.59 106.27 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.771 ' O ' HD12 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -99.38 153.5 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -145.3 100.55 4.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 18.1 Cg_endo -75.04 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' SER . 53.1 m95 -121.2 152.92 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -141.22 163.85 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.1 mtm -159.57 -168.73 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.58 138.74 6.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -165.86 168.43 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -64.95 160.04 21.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.73 -46.58 81.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 3.5 mt-10 -54.36 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.694 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -63.74 -41.08 98.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.1 pt-20 -70.64 -32.16 69.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -52.54 -45.52 66.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 11' ' ' PHE . 3.5 mp -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HE3' HD23 ' A' ' 47' ' ' LEU . 6.1 mttt -52.53 -34.51 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.41 -21.32 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 23' ' ' GLU . 10.3 mtt180 -74.27 0.34 14.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -71.6 -11.96 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 2.37 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 26.3 mttm -120.46 -115.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.065 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -168.14 173.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' HD12 ' A' ' 105' ' ' ILE . 59.4 tt0 -143.6 111.3 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.69 165.38 21.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 6.8 ttm180 176.09 120.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -37.86 127.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' N ' HG12 ' A' ' 101' ' ' VAL . 4.5 t80 -65.41 106.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -160.97 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.54 -40.22 50.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.99 -39.41 90.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.737 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.5 mmp_? -66.18 -30.57 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.75 -35.93 81.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -26.2 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 31' ' ' ARG . 76.5 mt -70.25 134.58 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -145.98 171.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.19 53.79 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.96 175.12 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 49' ' ' VAL . 16.7 t -134.43 139.36 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.419 ' HB ' HG22 ' A' ' 49' ' ' VAL . 8.0 mt -111.92 144.23 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' MET . 1.9 t -111.6 147.67 34.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HD21 ' A' ' 12' ' ' LEU . 22.9 m-85 -128.66 131.19 48.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 12' ' ' LEU . 12.9 mm-40 58.57 36.86 25.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.16 -62.52 2.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.46 30.92 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -33.8 61.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.603 ' HB3' HD23 ' A' ' 12' ' ' LEU . 1.3 tm? -151.92 122.22 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 1.1 mmtp -109.56 143.94 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.656 HG11 HG21 ' A' ' 15' ' ' ILE . 11.8 m -131.79 158.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -128.3 119.46 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.28 137.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.8 -43.73 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.6 176.42 7.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.406 HG13 HG22 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -124.11 145.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.848 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.8 mtp180 -143.56 142.58 31.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.56 142.45 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.525 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 21.5 m-85 -131.12 -176.49 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.72 -45.03 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.6 t -155.28 169.14 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.803 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.73 -37.4 84.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.56 -36.27 69.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.99 -37.85 66.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.668 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.9 mtp -69.67 -46.97 64.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.715 HD11 ' HE2' ' A' ' 86' ' ' TYR . 2.3 mt -68.96 -30.18 68.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.0 mm-40 -75.35 -43.33 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -64.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.53 -52.46 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.89 126.41 2.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.867 ' CD1' HG11 ' A' ' 76' ' ' VAL . 15.0 tp -58.29 -58.82 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.39 -13.24 60.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.73 HD22 ' N ' ' A' ' 71' ' ' ASN . 0.8 OUTLIER -95.33 11.61 32.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.065 HG22 HG22 ' A' ' 22' ' ' ILE . 54.6 t -140.27 -47.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.817 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -123.44 92.52 48.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.34 4.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 123.57 -32.28 4.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.867 HG11 ' CD1' ' A' ' 69' ' ' LEU . 7.8 p -39.07 149.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -84.9 -37.3 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.415 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.9 m -165.8 167.51 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 83' ' ' ILE . 28.3 mt -56.21 -38.48 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -46.26 83.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.54 -37.19 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.03 50.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -54.76 -41.18 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -38.09 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.69 -53.75 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.715 ' HE2' HD11 ' A' ' 64' ' ' LEU . 21.6 m-85 -61.17 -20.39 62.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -47.17 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -74.26 -26.19 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -87.24 -55.15 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -109.01 138.65 45.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 145.91 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -40.66 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -53.2 60.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.591 ' HA ' HD13 ' A' ' 26' ' ' LEU . 8.8 tt0 -64.8 -53.15 51.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -59.05 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -101.02 -54.93 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.62 -141.32 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.803 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.7 t -121.95 152.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.3 p -137.17 111.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.668 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -82.74 99.09 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.544 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -88.95 116.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.748 ' HG3' HD11 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -76.0 112.91 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -117.95 161.89 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.644 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -143.77 103.77 4.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.655 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.98 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' A' ' 40' ' ' ILE . 11.4 m95 -102.29 144.41 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.77 150.21 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.407 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 3.5 mtm -151.88 154.55 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.9 71.46 0.48 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.923 HD21 ' CG ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -75.72 -113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -163.13 160.09 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.4 -54.89 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.02 -41.97 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.1 -26.58 59.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.964 HD22 ' HB2' ' A' ' 47' ' ' LEU . 24.0 mt -65.68 -46.25 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -26.57 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 17' ' ' LEU . 12.1 mt -64.12 -43.11 96.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG21 HG11 ' A' ' 49' ' ' VAL . 1.6 mp -56.58 -45.62 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.46 -24.8 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 14' ' ' LEU . 29.7 mt -80.56 -49.01 11.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.11 3.35 10.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.4 OUTLIER -70.01 -29.68 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 9.05 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -131.23 -105.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.038 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -165.17 -179.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.712 ' N ' HG23 ' A' ' 22' ' ' ILE . 1.4 pp20? -143.15 139.33 30.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.41 150.71 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.8 tpt180 179.26 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -37.22 143.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.758 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.3 t80 -71.19 70.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.03 -179.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.54 -44.39 96.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -65.6 -48.74 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.2 tpt180 -57.01 -31.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 3.6 mtp180 -64.33 -39.88 94.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -75.42 -23.39 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 31' ' ' ARG . 88.4 mt -63.64 148.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 163.76 26.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.94 -27.34 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 72.6 m-20 -71.18 -179.51 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.569 HG22 ' HB2' ' A' ' 50' ' ' ARG . 61.6 t -136.77 144.81 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 3' ' ' TRP . 3.2 mt -121.17 101.32 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -78.22 146.92 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.923 ' CG ' HD21 ' A' ' 7' ' ' LEU . 14.8 m-85 -129.19 136.65 50.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.843 ' HG3' HD11 ' A' ' 12' ' ' LEU . 4.7 mm-40 52.35 43.76 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.69 -63.74 3.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.65 28.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -76.68 -36.07 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.964 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -141.61 112.38 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.3 mmtp -109.76 135.32 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG12 ' HB3' ' A' ' 107' ' ' PRO . 6.4 m -136.73 146.44 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.569 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -127.48 125.86 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.624 HG13 ' CG2' ' A' ' 103' ' ' ILE . 17.1 t -52.75 145.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.24 -40.25 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -163.19 160.82 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -116.53 149.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -142.07 160.33 40.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG13 ' CG1' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -135.02 139.47 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.539 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 24.0 m-85 -132.71 179.82 5.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -75.98 -46.28 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.76 168.64 25.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.726 ' CG ' ' CD2' ' A' ' 86' ' ' TYR . 2.4 m-85 -57.24 -37.74 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.627 ' HD3' HD11 ' A' ' 83' ' ' ILE . 6.2 tpp180 -55.68 -48.89 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -62.35 -30.16 70.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.539 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 12.9 mtp -75.81 -47.79 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD22 ' HA ' ' A' ' 69' ' ' LEU . 53.4 mt -68.48 -35.33 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.28 -46.0 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 9.6 ttpp -78.77 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' MET . 1.4 tm-20 -60.72 -50.6 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.91 124.4 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 HG21 ' A' ' 76' ' ' VAL . 17.4 tp -55.73 -60.69 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.45 -14.34 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.475 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 4.6 m-20 -91.99 6.37 46.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 22' ' ' ILE . 90.1 t -134.93 -46.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.016 HD23 ' HB ' ' A' ' 76' ' ' VAL . 3.8 tp -125.24 92.54 47.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.21 -28.88 5.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.016 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.2 p -39.92 149.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -85.41 -35.86 21.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.444 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 m -167.81 165.71 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.694 HG12 HD22 ' A' ' 69' ' ' LEU . 1.3 mm -52.99 -40.78 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -43.72 93.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -38.84 92.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.44 -50.68 58.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.627 HD11 ' HD3' ' A' ' 61' ' ' ARG . 6.4 mt -56.19 -38.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.55 -43.74 96.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.8 -36.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.726 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.7 m-30 -74.74 -26.46 59.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -39.77 59.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -61.1 -47.44 86.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.3 -54.24 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -99.78 149.15 23.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -71.84 150.78 43.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -34.55 61.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -51.48 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' CE ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.86 -41.86 71.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.5 tm-20 -64.93 -52.28 57.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -64.3 -14.44 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -56.03 5.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.77 -55.1 2.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.71 -141.37 12.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.3 t -131.39 155.28 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.758 HG21 ' HD1' ' A' ' 27' ' ' TYR . 3.0 m -136.92 106.78 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.49 98.01 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.624 ' CG2' HG13 ' A' ' 51' ' ' VAL . 2.1 mt -95.06 122.74 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 44.2 tt0 -82.37 106.74 14.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.539 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -99.2 159.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.591 ' O ' HD13 ' A' ' 108' ' ' LEU . 3.7 pt-20 -144.54 109.19 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.83 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.98 119.61 5.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.689 HD13 ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -91.99 149.05 21.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.76 125.24 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 mtt -127.74 -170.2 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.736 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -151.47 150.56 22.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.026 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -174.73 161.09 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.59 138.85 17.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.82 -36.49 58.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.72 -34.39 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.729 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -73.55 -38.82 65.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.981 HD23 ' HB2' ' A' ' 47' ' ' LEU . 5.0 mp -53.91 -42.73 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -34.29 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.9 mt -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 mp -63.19 -47.79 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.913 ' HE2' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -66.71 -22.37 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.37 -47.56 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -77.22 3.27 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.2 pttm -70.1 -30.21 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.84 8.51 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 7.8 mttp -132.44 -104.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.033 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -162.99 179.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.709 ' N ' HG23 ' A' ' 22' ' ' ILE . 38.9 tt0 -143.58 112.05 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -89.68 152.27 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 179.38 108.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -36.94 132.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.742 ' HD1' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -65.86 163.76 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -168.43 -177.32 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.89 -50.35 73.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -57.88 -47.15 83.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.766 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -41.25 60.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.68 -25.78 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 31' ' ' ARG . 70.1 mt -74.74 125.54 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 166.73 24.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.84 49.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -164.15 -170.78 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 39.2 t -139.01 145.4 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -123.84 115.22 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 57.9 p -87.53 135.45 33.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.026 ' CD1' HD21 ' A' ' 7' ' ' LEU . 8.4 m-85 -112.15 120.01 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 16.4 mm-40 68.49 44.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.12 -63.91 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.79 28.87 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' HD22 ' A' ' 12' ' ' LEU . 4.2 tmtm? -76.61 -39.78 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.981 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.09 112.57 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 5.6 mmtp -105.01 131.01 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' HB3' ' A' ' 107' ' ' PRO . 3.4 m -129.12 157.32 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -130.6 116.08 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.404 HG21 ' CG2' ' A' ' 34' ' ' ILE . 90.1 t -48.58 134.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -44.36 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.81 172.31 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.786 HG13 HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -126.07 149.89 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -150.63 154.02 36.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 101' ' ' VAL . 45.0 t -130.8 145.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.541 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 26.4 m-85 -133.08 -178.26 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -46.29 29.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 167.87 29.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.825 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.66 -36.75 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -36.82 73.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -71.46 -32.46 68.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 67' ' ' GLU . 2.3 mtp -74.97 -50.22 17.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.535 HD22 HD12 ' A' ' 69' ' ' LEU . 1.2 mt -60.47 -31.59 70.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.26 -47.4 20.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.88 -67.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 63' ' ' MET . 65.6 mm-40 -58.27 -42.66 86.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 116.97 122.65 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.031 HD11 HG11 ' A' ' 76' ' ' VAL . 10.9 tp -52.72 -60.31 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.2 -11.74 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.493 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 30.6 m-20 -95.64 5.96 50.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.033 HG22 HG22 ' A' ' 22' ' ' ILE . 59.2 t -136.19 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.99 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -118.73 89.32 37.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 125.52 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.42 -35.7 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.031 HG11 HD11 ' A' ' 69' ' ' LEU . 5.4 p -38.6 152.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -85.36 -35.33 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 m -166.73 164.68 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.645 ' O ' HD12 ' A' ' 83' ' ' ILE . 28.9 mt -52.74 -37.05 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -47.6 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.73 -36.91 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.583 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -53.84 -49.68 57.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -55.74 -40.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.05 -40.57 77.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 73' ' ' LEU . 1.7 t -60.81 -40.59 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.795 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 19.1 m-85 -74.94 -20.64 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -46.45 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 8.6 ptp180 -69.92 -33.8 72.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 2.4 m-85 -82.49 -55.05 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -105.5 143.26 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -63.8 145.11 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.13 77.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.07 -53.33 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CD ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.74 -43.67 72.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.575 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.2 tm-20 -63.24 -52.51 61.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -19.55 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' GLU . 23.6 ttmt -67.82 -58.28 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.11 -55.58 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 126.78 -139.5 11.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.825 HG21 ' N ' ' A' ' 60' ' ' PHE . 3.0 t -128.31 154.44 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.862 HG12 HG22 ' A' ' 56' ' ' VAL . 30.1 m -137.34 106.63 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.494 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -80.45 98.57 7.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.786 HG22 HG13 ' A' ' 54' ' ' ILE . 6.1 pt -96.19 138.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.419 ' HA ' HD13 ' A' ' 22' ' ' ILE . 3.4 tt0 -95.49 122.58 38.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.788 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -111.87 176.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.429 ' O ' HD23 ' A' ' 108' ' ' LEU . 3.3 tp10 -160.78 102.62 1.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.521 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -75.03 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -113.8 155.95 24.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.971 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.09 128.76 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 7.3 mtt -130.84 176.44 8.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.53 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -142.18 137.02 7.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.067 HD21 ' CD2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -166.13 157.39 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -45.26 144.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.76 -37.79 74.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.7 -45.33 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.829 ' HB3' HD12 ' A' ' 7' ' ' LEU . 2.0 m-85 -62.52 -45.1 94.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 47' ' ' LEU . 7.5 mp -50.61 -47.56 58.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.5 mt -70.68 -31.79 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.521 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.6 mp -62.35 -41.99 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.0 -42.95 84.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -69.56 -48.12 61.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -76.59 4.31 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 1.6 pttt -69.3 -28.31 66.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 9.02 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 2.8 mttm -129.76 -101.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.778 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -163.22 176.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.681 ' N ' HG23 ' A' ' 22' ' ' ILE . 13.8 tt0 -142.38 76.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -51.75 172.23 0.27 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 159.43 117.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.19 135.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.7 t80 -74.7 107.82 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -102.52 -169.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.9 -43.27 75.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -45.73 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -63.37 -31.47 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 10.2 mtp180 -63.27 -40.83 98.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -22.83 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CG2' HG21 ' A' ' 51' ' ' VAL . 23.8 mt -70.6 141.18 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 171.97 5.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.33 55.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.3 177.84 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 50.7 t -136.31 150.45 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CG2' ' HG3' ' A' ' 5' ' ' MET . 5.2 mt -127.43 132.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -104.24 124.75 49.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 1.067 ' CD2' HD21 ' A' ' 7' ' ' LEU . 5.0 m-85 -101.24 126.08 47.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 64.84 41.34 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.74 -62.45 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.21 28.93 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' HD22 ' A' ' 12' ' ' LEU . 5.8 tmtm? -76.72 -39.42 51.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.824 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -130.5 117.16 19.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.6 mmtp -111.01 112.11 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.7 HG12 ' HB3' ' A' ' 107' ' ' PRO . 18.4 m -114.43 152.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -126.91 114.19 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 34' ' ' ILE . 72.4 t -50.01 130.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.27 167.01 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.67 149.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -151.81 144.97 24.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.758 HG13 HG12 ' A' ' 101' ' ' VAL . 3.0 t -125.27 141.81 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CG ' ' CG ' ' A' ' 63' ' ' MET . 24.9 m-85 -125.34 178.15 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -75.33 -45.6 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -158.9 158.56 33.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.809 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -52.6 -32.3 40.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -40.74 93.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.61 -28.02 63.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.972 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -75.43 -47.1 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -67.65 -33.98 76.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -76.23 -47.91 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -78.59 -65.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -56.85 -49.62 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.66 125.65 2.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.837 HD11 HG11 ' A' ' 76' ' ' VAL . 56.7 tp -53.59 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.52 -11.96 60.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 7.7 m-80 -95.26 18.94 11.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 22' ' ' ILE . 55.7 t -146.8 -55.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.865 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -122.4 94.4 47.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.21 7.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.54 -31.22 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.865 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.5 p -38.93 150.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -84.92 -37.82 20.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -166.95 169.95 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.567 ' O ' HD12 ' A' ' 83' ' ' ILE . 3.1 mm -54.4 -39.09 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -49.53 75.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -53.2 -49.68 55.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mt -58.88 -42.5 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -56.04 -38.02 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.568 HG11 HD11 ' A' ' 73' ' ' LEU . 2.1 t -63.01 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.749 ' OH ' HD21 ' A' ' 64' ' ' LEU . 14.9 m-85 -75.28 -24.38 57.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -74.73 -43.03 57.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -63.66 -42.84 98.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.56 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 11.6 m-85 -82.53 -55.1 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -103.02 143.57 32.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.8 148.31 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 0.3 OUTLIER -74.23 -28.94 61.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -52.95 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.02 83.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.7 OUTLIER -62.1 -53.41 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -15.74 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -100.45 -54.56 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.14 -159.73 19.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.794 HG21 ' N ' ' A' ' 60' ' ' PHE . 1.7 t -113.77 153.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.758 HG12 HG13 ' A' ' 56' ' ' VAL . 31.4 m -137.46 114.64 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.972 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -87.8 98.67 11.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.553 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -95.94 127.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.15 108.83 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.629 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -101.82 163.13 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.675 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.4 tp10 -143.06 100.94 5.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.7 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -141.03 139.98 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -127.58 138.55 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 24.0 mtt -150.17 111.9 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.668 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -79.69 156.67 40.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.997 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -170.48 -179.12 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.751 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 157.77 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -39.3 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.14 -46.02 89.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.997 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.34 -29.1 70.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.002 HD22 ' HB2' ' A' ' 47' ' ' LEU . 79.8 mt -67.48 -51.08 55.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.99 -32.43 70.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.87 -45.67 93.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.497 HG21 HG11 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -56.39 -38.83 57.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.12 -28.35 69.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.9 -22.34 27.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CB ' HD11 ' A' ' 105' ' ' ILE . 3.3 mtt-85 -77.73 1.45 20.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -72.35 -11.67 60.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -127.29 3.71 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 35.1 mmtt -116.67 -113.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.036 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.16 173.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.626 ' N ' HG23 ' A' ' 22' ' ' ILE . 5.1 tt0 -144.15 125.45 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.51 165.82 22.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 ptm85 176.74 137.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.656 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -37.46 111.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -50.85 115.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.99 -175.94 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.91 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 2.3 tpp180 -58.76 -43.21 90.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 1.8 mtt180 -54.25 -40.87 68.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -25.27 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 51' ' ' VAL . 96.5 mt -74.76 141.14 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 162.59 55.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 98.86 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.08 -26.97 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.2 m-20 -75.6 -176.24 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 50' ' ' ARG . 96.5 t -136.75 145.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 51' ' ' VAL . 1.4 mp -124.17 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.453 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 46.8 t -94.2 136.02 34.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.689 ' HB3' HD21 ' A' ' 12' ' ' LEU . 16.0 m-30 -112.62 131.24 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' OE2' ' CA ' ' A' ' 6' ' ' GLY . 24.2 mm-40 58.22 49.67 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.07 -60.24 4.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.72 30.67 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HD2' HD13 ' A' ' 12' ' ' LEU . 3.4 tmtm? -76.03 -40.19 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.002 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.19 115.98 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.3 mmtp -109.46 126.65 53.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 107' ' ' PRO . 18.5 m -131.61 152.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.721 ' HB2' HG22 ' A' ' 39' ' ' VAL . 3.6 tmm_? -130.78 127.5 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' CG2' ' A' ' 34' ' ' ILE . 41.1 t -59.67 144.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -41.44 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.22 152.23 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.496 ' CG1' HG22 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -105.12 150.08 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 87.7 mtt180 -154.35 136.08 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 101' ' ' VAL . 41.4 t -116.04 147.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 41.2 m-85 -132.92 179.34 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -76.48 -45.48 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -154.65 171.14 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.765 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -62.77 -37.99 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.74 -43.62 80.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.2 -33.62 75.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.612 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -75.29 -47.75 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.897 HD22 HD12 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -71.07 -32.26 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.8 mm-40 -76.37 -45.27 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -82.94 -64.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.5 OUTLIER -59.89 -53.52 56.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.57 129.59 3.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.897 HD12 HD22 ' A' ' 64' ' ' LEU . 8.5 tp -63.12 -59.3 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -11.99 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.563 HD22 ' N ' ' A' ' 71' ' ' ASN . 1.5 m-80 -96.08 6.84 47.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.036 HG22 HG22 ' A' ' 22' ' ' ILE . 71.4 t -137.51 -51.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.956 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.0 OUTLIER -116.78 83.66 14.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.79 -35.9 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.956 ' HB ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -43.39 157.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -85.52 -31.64 22.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t -176.81 171.88 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -55.46 -33.43 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -52.15 56.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.49 -31.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.447 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -60.22 -45.59 95.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 1.6 mt -61.94 -27.85 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.04 -37.49 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.4 t -65.28 -34.38 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 2.5 m-30 -77.6 -14.48 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -75.69 -50.27 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 2.2 ptm180 -67.1 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 3.6 m-85 -87.48 -55.41 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.26 -161.7 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -153.25 174.31 14.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -76.44 -35.39 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -54.95 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.55 -47.59 73.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.566 ' CD ' HG22 ' A' ' 100' ' ' VAL . 5.5 tt0 -65.43 -51.21 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -56.82 -18.42 12.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -72.49 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -102.24 -55.55 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.09 -179.37 16.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.765 HG21 ' N ' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -98.74 122.24 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 27' ' ' TYR . 10.1 p -105.08 107.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.612 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -83.82 98.43 9.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.496 HG22 ' CG1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -96.8 134.54 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' A' ' 22' ' ' ILE . 2.9 tt0 -84.68 106.25 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.979 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -94.5 142.54 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -133.12 99.69 14.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.76 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.0 108.04 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -124.18 134.98 53.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.19 150.98 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.428 ' HE1' HG21 ' A' ' 40' ' ' ILE . 6.5 mtm -153.68 -178.93 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.55 147.42 17.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.4 pt? -172.57 171.91 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.93 162.29 4.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 12' ' ' LEU . 2.4 tt0 -65.54 -42.13 92.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.74 -36.3 82.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -71.38 -27.78 63.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.893 HD13 ' HG2' ' A' ' 46' ' ' LYS . 2.2 mt -64.35 -43.93 93.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.28 -30.2 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 5.9 mt -52.6 -33.98 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.689 HG21 HG11 ' A' ' 49' ' ' VAL . 1.8 mp -65.8 -46.61 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -25.67 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.01 -46.97 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HD2' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -76.98 4.25 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.8 pttp -68.89 -29.56 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -85.66 5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.4 mttt -126.78 -107.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.831 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -163.65 179.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.711 ' N ' HG23 ' A' ' 22' ' ' ILE . 46.7 tt0 -143.15 116.7 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 154.71 21.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 178.88 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -37.23 133.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.63 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.1 t80 -65.74 77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.25 -165.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 2.1 mt-10 -75.23 -51.79 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -36.13 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NH1' HD11 ' A' ' 103' ' ' ILE . 3.0 mmt180 -61.14 -49.78 75.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 8.1 ptp180 -64.68 -24.13 67.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -74.44 -31.33 62.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.724 ' CG2' HG21 ' A' ' 51' ' ' VAL . 90.0 mt -74.94 124.31 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -119.01 165.84 15.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -74.98 79.35 2.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.23 49.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.21 -171.19 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.649 HG22 ' HB2' ' A' ' 50' ' ' ARG . 76.4 t -137.01 146.99 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.458 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.4 mt -119.14 148.92 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 44' ' ' GLY . 33.1 t -125.98 147.38 49.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.703 ' HB3' HD21 ' A' ' 12' ' ' LEU . 58.3 m-85 -126.29 136.53 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.821 ' HG3' HD11 ' A' ' 12' ' ' LEU . 7.3 mm-40 61.69 17.83 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.422 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 102.86 -55.75 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.28 27.18 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.893 ' HG2' HD13 ' A' ' 12' ' ' LEU . 16.3 tptt -71.67 -45.07 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 107' ' ' PRO . 1.4 tm? -149.19 119.16 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -102.92 143.45 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 HG21 ' A' ' 15' ' ' ILE . 34.5 m -137.45 169.79 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HB2' HG22 ' A' ' 39' ' ' VAL . 7.1 ttp85 -144.25 125.48 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.724 HG21 ' CG2' ' A' ' 34' ' ' ILE . 60.4 t -60.07 143.13 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -42.02 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.45 162.88 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.734 HG13 HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -121.16 148.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.03 147.5 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.783 HG13 ' CG1' ' A' ' 101' ' ' VAL . 2.1 t -123.37 146.5 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 49.7 m-85 -132.36 -178.97 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -76.11 -46.49 28.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 169.46 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.805 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -58.95 -36.26 74.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -55.9 -44.55 78.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.56 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.557 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 4.5 mtp -75.7 -47.34 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 69' ' ' LEU . 19.0 mt -69.52 -31.17 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.1 mm-40 -76.19 -49.35 17.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -80.69 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 3.9 tp10 -58.65 -50.75 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 126.6 127.71 3.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.035 HD11 HG21 ' A' ' 76' ' ' VAL . 16.8 tp -57.53 -60.02 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.23 -16.0 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.743 HD22 ' N ' ' A' ' 71' ' ' ASN . 0.8 OUTLIER -91.94 13.04 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.831 HG22 HG22 ' A' ' 22' ' ' ILE . 87.9 t -138.07 -50.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.927 HD23 ' HB ' ' A' ' 76' ' ' VAL . 3.5 tp -124.48 98.86 37.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.87 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 114.55 -27.53 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.035 HG21 HD11 ' A' ' 69' ' ' LEU . 10.0 p -38.37 148.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -83.24 -37.3 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.425 ' H ' HG22 ' A' ' 76' ' ' VAL . 14.4 t -170.86 172.94 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.552 ' O ' HD12 ' A' ' 83' ' ' ILE . 33.5 mt -58.38 -38.62 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.09 84.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -38.92 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -44.8 60.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.8 mt -62.96 -33.57 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.27 -38.81 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.07 -40.9 90.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.805 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 6.8 m-30 -70.37 -33.25 71.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -34.63 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -61.69 -45.5 93.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.89 -54.42 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -91.14 146.98 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 141.92 46.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.58 -34.79 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -53.91 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -45.38 84.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tt0 -57.22 -52.31 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.42 -15.29 62.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -58.82 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -97.52 -55.2 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.9 -150.22 17.29 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.752 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.0 t -115.55 156.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.783 ' CG1' HG13 ' A' ' 56' ' ' VAL . 7.3 m -137.6 107.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.508 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -79.49 98.13 6.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.734 HG22 HG13 ' A' ' 54' ' ' ILE . 15.9 pt -101.33 133.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.0 tt0 -92.67 114.03 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.783 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -104.18 170.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.694 ' O ' HD13 ' A' ' 108' ' ' LEU . 3.2 tm-20 -144.58 103.44 4.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.667 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.01 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -140.22 147.09 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 107.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 2.7 tt0 -132.32 169.49 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' SER . 24.8 mmt -152.24 175.47 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.05 128.41 3.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.003 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.1 pt? -164.07 177.97 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 166.74 23.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.5 tt0 -73.0 -40.41 65.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.33 -35.38 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 1.003 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.91 -27.24 60.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.882 HD22 ' CB ' ' A' ' 47' ' ' LEU . 20.1 mt -62.85 -43.56 98.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.17 -35.98 70.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 ' HG2' ' A' ' 74' ' ' PRO . 21.9 mt -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.609 HG22 ' HG3' ' A' ' 107' ' ' PRO . 3.7 mp -58.66 -43.47 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -56.48 -31.03 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.83 -23.89 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 4.2 mtt180 -74.91 1.37 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.493 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.37 -27.73 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -109.78 -1.5 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 16.5 mttt -116.67 -116.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.087 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -168.71 178.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.693 ' N ' HG23 ' A' ' 22' ' ' ILE . 8.1 pt-20 -144.67 129.28 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.06 159.39 20.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 103' ' ' ILE . 0.6 OUTLIER 169.67 117.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.278 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -39.87 144.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.24 127.27 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -116.68 178.96 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.38 -34.89 73.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.65 -44.24 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.0 mmt180 -58.06 -41.85 84.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -50.79 -39.7 53.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.37 -29.39 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 31' ' ' ARG . 70.9 mt -69.39 150.28 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -146.22 163.12 31.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.95 95.44 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.59 -28.6 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -75.54 -172.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 49' ' ' VAL . 96.5 t -135.87 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mt -116.89 116.39 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 4.7 t -84.3 145.69 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.947 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.812 ' HB3' HD21 ' A' ' 12' ' ' LEU . 5.1 m-85 -125.17 131.4 53.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.61 43.4 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.71 -61.45 3.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.54 28.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.688 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -77.77 -39.45 44.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.882 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -132.61 116.39 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -106.56 138.65 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.809 HG12 ' HB3' ' A' ' 107' ' ' PRO . 1.8 m -139.94 161.26 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HB2' HG22 ' A' ' 39' ' ' VAL . 21.0 ttt180 -137.1 118.06 14.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.245 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 36' ' ' PRO . 39.5 t -48.46 145.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -41.66 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 155.68 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.28 144.6 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.844 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -145.1 147.0 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.1 t -122.66 145.73 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.77 ' CE1' ' HB3' ' A' ' 102' ' ' ALA . 16.1 m-85 -132.49 179.6 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -46.36 27.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.439 ' HA ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -159.16 -175.6 5.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.602 ' CD1' HG11 ' A' ' 100' ' ' VAL . 24.0 m-85 -70.23 -40.14 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HD3' HG22 ' A' ' 79' ' ' ILE . 10.5 tpp85 -55.6 -45.32 77.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -66.67 -41.39 88.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.715 ' CE ' ' HB2' ' A' ' 102' ' ' ALA . 13.3 mtp -61.37 -50.91 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -65.29 -30.73 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -83.49 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.6 mm-40 -61.4 -54.66 40.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.597 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 131.41 127.34 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.887 ' CD1' HG11 ' A' ' 76' ' ' VAL . 37.5 tp -51.79 -61.6 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.76 -12.48 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 36.8 m-20 -94.89 8.5 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.087 HG22 HG22 ' A' ' 22' ' ' ILE . 88.3 t -137.66 -49.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.976 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -125.88 94.87 41.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.551 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.97 127.94 11.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 110.07 -31.2 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.976 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.2 p -38.3 152.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -86.0 -35.7 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.7 m -168.83 168.67 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.559 HG22 ' HD3' ' A' ' 61' ' ' ARG . 27.4 mt -55.74 -40.35 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.54 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.34 -39.51 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.84 -44.69 61.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.8 mt -60.79 -41.96 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -55.12 -36.9 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 t -65.19 -48.01 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.683 ' CE1' HD13 ' A' ' 73' ' ' LEU . 12.7 m-85 -67.66 -22.17 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -47.69 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 2.6 ptm85 -69.61 -35.33 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.0 m-85 -76.1 -55.53 5.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.08 153.27 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.63 148.21 46.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -37.39 61.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -54.28 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -36.2 76.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.564 ' OE2' ' CZ ' ' A' ' 60' ' ' PHE . 9.6 tp10 -65.2 -54.04 35.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -15.68 62.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -59.01 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.04 -53.26 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.62 -124.77 4.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.602 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.3 t -144.96 150.66 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.8 p -136.33 107.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.77 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . . . -83.51 97.97 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.557 HG13 HG22 ' A' ' 101' ' ' VAL . 2.8 mt -89.95 125.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.29 106.68 15.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -99.8 162.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -138.17 93.49 11.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.809 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.543 0.211 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -139.64 141.84 37.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -111.51 141.38 45.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.018 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -131.01 138.59 49.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.495 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 7.4 mtt -151.24 -175.07 5.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.662 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -154.15 147.38 16.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.898 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -167.13 158.52 12.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.324 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -50.51 144.32 7.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.42 -42.38 66.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -58.23 -36.19 72.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.706 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -74.18 -27.11 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.597 HD13 ' HD2' ' A' ' 46' ' ' LYS . 66.9 mt -65.93 -49.64 67.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -54.67 -34.22 61.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.28 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -56.4 -45.16 80.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 107' ' ' PRO . 0.8 OUTLIER -57.34 -37.57 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.615 ' HE2' HD21 ' A' ' 47' ' ' LEU . 5.0 mtmt -65.53 -29.02 69.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.54 -18.5 35.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 4.7 mtt180 -84.29 1.15 46.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 -10.46 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -130.09 6.7 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 24.9 mttt -125.7 -114.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.002 HG22 HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -166.98 172.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.621 ' N ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -143.27 114.73 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -85.12 173.01 48.18 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 158.46 104.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -39.3 133.66 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.797 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -59.03 129.3 41.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -126.03 -175.25 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.81 -51.24 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -39.45 86.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.659 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.7 tpp180 -64.41 -44.19 92.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -50.98 -38.14 49.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.03 -28.96 60.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 31' ' ' ARG . 79.8 mt -69.61 121.87 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.24 161.48 56.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.536 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 84.78 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.99 49.4 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -164.88 -166.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.4 t -139.04 148.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.525 HD11 HG23 ' A' ' 51' ' ' VAL . 2.1 mt -122.14 113.84 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 1.2 m -89.89 127.6 36.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.898 ' CD1' HD21 ' A' ' 7' ' ' LEU . 28.8 m-85 -105.87 141.93 36.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 46.22 40.49 7.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.34 -62.64 2.06 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.3 29.51 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.597 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.615 HD21 ' HE2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -135.85 112.63 10.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 10.6 mmtp -102.82 133.55 47.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG11 HG21 ' A' ' 15' ' ' ILE . 32.7 m -136.91 153.82 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HB3' HD21 ' A' ' 108' ' ' LEU . 4.6 ttp180 -131.11 119.83 22.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 36' ' ' PRO . 61.0 t -50.64 138.04 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.19 -43.11 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.98 157.39 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.246 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -114.47 144.81 21.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -137.94 160.72 38.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.595 HG22 HG12 ' A' ' 101' ' ' VAL . 4.9 t -135.39 140.96 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CG ' ' HG2' ' A' ' 63' ' ' MET . 17.8 m-85 -133.12 -176.43 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -76.45 -46.28 27.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.54 ' HA ' HG23 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -165.8 -178.61 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.978 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HG3' ' A' ' 95' ' ' GLU . 32.1 m-85 -60.58 -38.72 85.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 9.4 tpp180 -55.46 -52.88 62.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -65.44 -29.22 69.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.555 ' HG2' ' CG ' ' A' ' 57' ' ' TYR . 0.2 OUTLIER -72.9 -49.66 28.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.977 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.713 HD13 HD13 ' A' ' 69' ' ' LEU . 63.1 mt -71.97 -32.23 67.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 72.9 mt-10 -75.47 -43.71 47.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 19.5 ttmt -83.05 -64.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.1 tm-20 -61.45 -52.63 63.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.617 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 131.26 129.59 3.07 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.047 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.934 HD11 HG21 ' A' ' 76' ' ' VAL . 24.0 tp -60.89 -60.06 4.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.49 -12.36 60.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 71' ' ' ASN . 1.3 m-80 -92.91 6.3 48.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 22' ' ' ILE . 94.1 t -133.99 -52.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.788 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -117.58 95.61 47.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.94 4.14 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.991 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 118.23 -25.98 8.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.934 HG21 HD11 ' A' ' 69' ' ' LEU . 7.0 p -39.43 148.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -85.42 -35.1 21.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.443 ' H ' HG22 ' A' ' 76' ' ' VAL . 8.7 m -167.4 167.81 13.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.612 ' O ' HD12 ' A' ' 83' ' ' ILE . 58.3 mt -55.32 -44.09 73.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.88 99.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -38.79 92.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.75 -49.48 78.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -55.46 -41.92 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.361 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -57.39 -38.32 74.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.21 -41.08 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.713 ' CE1' HD13 ' A' ' 73' ' ' LEU . 18.0 m-85 -75.1 -25.15 58.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -43.78 51.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -66.36 -37.74 85.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.501 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 7.8 m-85 -83.77 -55.2 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -97.79 136.26 38.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 111.036 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -68.15 153.54 43.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -75.15 -35.81 61.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -55.11 29.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -45.4 77.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.573 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -58.88 -51.44 70.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -65.53 -20.31 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -66.99 -60.05 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -101.53 -55.46 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 133.06 -126.51 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.54 HG23 ' HA ' ' A' ' 59' ' ' SER . 8.1 t -141.26 145.29 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 0.77 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.797 HG21 ' CD1' ' A' ' 27' ' ' TYR . 27.3 m -137.2 108.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.429 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -74.79 98.48 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.482 HD13 ' HD2' ' A' ' 31' ' ' ARG . 1.5 mp -85.22 107.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -73.52 114.23 11.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 105' ' ' ILE . 1.9 pp -112.54 148.95 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -144.64 107.84 4.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.569 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.97 118.4 5.26 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -100.74 51.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.11 -26.82 9.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 20.2 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.525 0.202 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -138.63 142.11 39.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.259 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -98.15 144.45 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.98 116.16 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.466 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 6.7 mtt -121.77 -175.04 3.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -151.97 150.66 22.57 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.957 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -174.7 178.43 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.08 155.6 38.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -65.22 -49.26 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -55.38 -34.04 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.957 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.23 -30.08 62.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.957 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.934 HD22 ' CB ' ' A' ' 47' ' ' LEU . 12.7 mt -65.79 -43.71 87.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -54.88 -35.46 64.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 mt -53.61 -43.54 68.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.762 HG21 HG11 ' A' ' 49' ' ' VAL . 3.3 mp -59.04 -42.31 85.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -58.7 -29.75 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.29 -24.69 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.47 ' CD ' ' HA ' ' A' ' 15' ' ' ILE . 3.5 mtt180 -77.11 0.81 20.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -72.51 -13.25 61.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -126.32 2.58 7.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 16.4 mttt -123.04 -113.53 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.891 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.41 171.21 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.716 ' HB3' HD12 ' A' ' 105' ' ' ILE . 4.6 tt0 -143.23 92.86 2.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' CA ' ' HE1' ' A' ' 63' ' ' MET . . . -66.35 170.52 30.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' O ' HG13 ' A' ' 101' ' ' VAL . 1.2 ttt180 171.64 114.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -39.41 135.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.544 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -69.24 89.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.29 -167.18 1.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -73.74 -47.37 39.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -59.69 -39.65 85.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HA ' HD12 ' A' ' 34' ' ' ILE . 3.6 mmp_? -57.17 -37.8 72.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -40.66 94.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -68.52 -29.04 67.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 31' ' ' ARG . 96.3 mt -68.14 142.75 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 164.27 24.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 106.34 2.26 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.01 -30.22 1.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -75.31 171.72 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 0.0 109.28 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.629 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -134.37 131.03 54.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.442 HD12 HG23 ' A' ' 49' ' ' VAL . 2.6 mt -100.88 128.62 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.5 p -104.29 118.22 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.915 ' HB3' HD21 ' A' ' 12' ' ' LEU . 38.5 m-85 -96.75 137.44 35.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.527 ' HG3' HD11 ' A' ' 12' ' ' LEU . 25.1 mt-10 53.7 36.69 24.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.42 -61.57 3.2 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.11 28.08 0.18 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.779 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -75.79 -39.63 56.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.934 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -140.71 115.92 9.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 4.0 mmmm -107.17 136.59 46.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 107' ' ' PRO . 27.1 m -136.4 153.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.629 ' HB2' HG22 ' A' ' 39' ' ' VAL . 4.8 ttp180 -129.68 116.56 18.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.9 t -51.38 146.04 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.69 -40.17 4.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -174.1 166.98 4.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.12 149.58 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' O ' HG23 ' A' ' 101' ' ' VAL . 25.4 mtt-85 -157.93 122.23 4.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.58 151.99 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 10.7 m-85 -133.22 -179.19 5.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.15 -46.59 27.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.83 163.6 37.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.033 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.917 ' CD1' HG11 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.7 -37.68 71.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.09 -38.52 70.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 110.347 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.31 -28.25 61.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.573 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 9.3 mtp -75.74 -50.26 15.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.763 HD21 ' OH ' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -63.63 -31.69 72.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.258 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -75.98 -45.61 33.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -76.83 -66.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' MET . 72.6 mm-40 -60.12 -49.28 78.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' CA ' ' O ' ' A' ' 64' ' ' LEU . . . 125.94 126.9 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.997 ' CD1' HG11 ' A' ' 76' ' ' VAL . 19.4 tp -55.25 -59.4 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.06 -23.57 65.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.422 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 12.1 m-80 -90.04 17.09 7.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.891 HG22 HG22 ' A' ' 22' ' ' ILE . 12.7 t -139.6 -48.05 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.844 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -129.43 96.94 26.29 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.44 4.29 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.446 1.761 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.91 -28.74 5.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.997 HG11 ' CD1' ' A' ' 69' ' ' LEU . 7.4 p -39.97 148.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -85.74 -36.11 20.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 m -168.36 164.97 12.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 mt -52.73 -40.5 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -45.17 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.5 -39.63 94.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.93 -46.84 60.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mt -58.43 -41.74 82.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.5 -37.47 67.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.8 t -64.57 -48.86 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.763 ' OH ' HD21 ' A' ' 64' ' ' LEU . 13.3 m-30 -64.72 -21.85 66.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -75.59 -45.64 36.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -71.76 -32.06 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.401 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.0 OUTLIER -82.77 -53.67 5.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.558 ' HB3' HD23 ' A' ' 26' ' ' LEU . 3.9 m-85 -111.32 146.4 37.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.83 145.72 55.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.468 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 42.9 tp10 -73.02 -38.01 66.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -53.78 51.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -42.19 78.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 99' ' ' GLY . 17.0 tt0 -64.31 -52.95 55.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -16.47 63.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -74.62 -59.48 2.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.29 -55.47 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.5 -145.93 16.8 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.917 HG11 ' CD1' ' A' ' 60' ' ' PHE . 1.7 t -125.37 149.64 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.651 ' O ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -136.09 115.82 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.26 99.09 9.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.651 HD13 ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -89.14 115.23 28.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 26.9 tt0 -74.91 110.44 9.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.716 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -105.31 165.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.855 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -145.79 97.24 4.6 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.838 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.498 1.789 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.855 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -98.43 84.07 3.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.355 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -126.24 -98.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tpt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.517 0.198 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -106.63 145.2 32.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -117.67 147.22 43.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 107.981 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 41' ' ' SER . 1.1 pm0 -140.31 144.63 36.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 9.5 mtt -148.03 136.67 21.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.38 140.62 15.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.512 1.133 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.904 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -164.98 173.52 11.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 0.796 . . . . 0.0 109.265 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -74.95 162.67 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -67.23 -45.13 77.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -34.4 55.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.904 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.26 -28.26 59.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.993 HD22 ' CB ' ' A' ' 47' ' ' LEU . 67.5 mt -66.93 -49.13 66.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -54.68 -31.32 57.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -60.78 -45.17 95.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.676 HD12 HH11 ' A' ' 18' ' ' ARG . 0.7 OUTLIER -58.23 -37.23 61.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' HD21 ' A' ' 47' ' ' LEU . 5.0 ttmt -64.77 -30.12 71.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -85.03 -22.61 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.697 ' HB2' HD11 ' A' ' 105' ' ' ILE . 7.1 mtt180 -77.78 0.94 21.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -73.3 -9.29 58.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -131.86 7.23 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 30.6 mttt -124.54 -111.37 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.915 HG22 HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -166.75 170.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.578 ' N ' HG23 ' A' ' 22' ' ' ILE . 15.0 tt0 -146.02 98.61 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.623 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -96.83 -178.87 34.88 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER 161.01 129.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.869 HD13 ' HA ' ' A' ' 95' ' ' GLU . 3.2 tp -37.43 124.81 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.733 ' HD1' HG21 ' A' ' 101' ' ' VAL . 0.9 OUTLIER -62.15 172.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -178.52 -176.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -66.28 -50.18 64.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -66.79 -38.91 87.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.468 ' NH1' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -64.9 -53.19 50.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.272 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.584 ' CB ' ' CZ ' ' A' ' 27' ' ' TYR . 14.7 ptp180 -63.89 -15.64 59.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 33' ' ' GLN . 5.9 tp60 -66.58 -42.98 86.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.005 HG22 HG21 ' A' ' 51' ' ' VAL . 10.3 mt -75.13 124.25 32.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -115.23 173.48 2.9 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 78.4 2.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.47 50.72 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.33 -169.56 1.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.325 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 49' ' ' VAL . 42.4 t -139.3 150.08 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.72 HD11 HG23 ' A' ' 51' ' ' VAL . 0.8 OUTLIER -126.2 96.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 55.5 p -76.49 124.8 28.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.688 ' HB3' HD21 ' A' ' 12' ' ' LEU . 17.1 m-85 -100.86 150.8 22.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HG3' HD11 ' A' ' 12' ' ' LEU . 14.4 mm-40 45.2 47.65 10.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.11 -61.76 4.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.14 27.42 0.1 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -77.0 -40.09 47.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 109.241 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.993 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -135.61 118.8 16.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -106.89 141.52 37.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.608 HG23 HD12 ' A' ' 40' ' ' ILE . 27.3 m -141.96 155.63 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.536 ' NH1' HD21 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -133.61 121.15 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.005 HG21 HG22 ' A' ' 34' ' ' ILE . 96.3 t -54.71 141.79 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -41.49 4.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 159.68 10.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.417 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.6 OUTLIER -114.7 147.59 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.09 151.93 33.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.533 HG13 HG12 ' A' ' 101' ' ' VAL . 3.2 t -129.48 140.87 47.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.5 m-85 -126.63 -178.7 4.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.98 -45.81 32.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.3 t -158.02 166.09 33.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.041 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.787 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -57.34 -36.18 70.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 2.3 ttm180 -56.87 -45.44 82.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -63.67 -32.92 74.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.925 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.3 mtp -74.99 -48.83 22.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD11 ' HE2' ' A' ' 86' ' ' TYR . 1.2 mt -68.11 -28.92 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.225 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.2 mm-40 -75.34 -49.51 18.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -64.95 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -54.89 -52.52 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.758 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.61 130.33 3.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.902 ' CD1' HG11 ' A' ' 76' ' ' VAL . 14.9 tp -63.97 -59.24 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.27 -8.14 29.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 21' ' ' LYS . 10.1 m-20 -91.53 -11.12 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 22' ' ' ILE . 21.2 t -121.86 -40.11 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.9 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.2 tp -126.32 89.03 53.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.457 1.767 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.06 -25.67 8.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.902 HG11 ' CD1' ' A' ' 69' ' ' LEU . 6.7 p -39.82 152.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -83.57 -35.28 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.557 ' H ' HG22 ' A' ' 76' ' ' VAL . 9.6 m -172.51 165.8 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.56 ' O ' HD12 ' A' ' 83' ' ' ILE . 21.1 mt -53.75 -41.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -46.37 90.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.58 -39.39 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.31 64.28 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.56 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mp -62.38 -45.03 99.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -55.41 -37.51 67.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.96 -49.39 79.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.695 ' CE1' HD13 ' A' ' 73' ' ' LEU . 16.1 m-85 -66.79 -26.07 66.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.95 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.05 -28.93 57.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -73.58 -39.13 64.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -92.89 -51.9 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.642 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -96.96 122.77 40.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.29 147.28 17.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.258 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -72.22 -30.1 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.19 -51.81 22.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.81 90.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.869 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -65.15 -53.28 47.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -18.93 65.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -59.24 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -100.44 -55.16 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 124.89 -160.09 19.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.787 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.2 t -107.05 157.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.733 HG21 ' HD1' ' A' ' 27' ' ' TYR . 17.3 m -137.62 107.55 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.925 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -78.22 98.12 5.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.451 HD13 ' CZ ' ' A' ' 31' ' ' ARG . 37.3 pt -99.41 122.69 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.67 114.34 15.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.904 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -108.76 145.83 15.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.02 105.88 6.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.524 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.96 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.787 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.536 HD21 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -73.26 58.43 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 110' ' ' TYR . 0.7 OUTLIER -117.8 -9.39 10.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' GLU . 16.4 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.46 157.13 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -115.8 143.83 44.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 108.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -125.46 149.12 48.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 41' ' ' SER . 3.3 mtt -151.51 -172.14 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.93 147.31 14.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.7 pt? -169.31 163.03 10.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.69 148.62 7.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -38.89 68.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.14 -34.84 79.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.706 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.28 -27.43 59.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.665 HD23 ' HB2' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -65.65 -33.99 77.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.355 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -74.89 -31.77 61.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -53.07 -45.78 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.794 HG21 HG11 ' A' ' 49' ' ' VAL . 3.0 mp -59.38 -44.61 92.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -33.14 55.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 17' ' ' LEU . 10.0 mt -85.37 -21.49 28.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 23' ' ' GLU . 14.0 mtt180 -71.59 0.1 9.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -72.59 -12.22 60.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -126.86 2.7 6.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' CD ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mmtm -119.43 -115.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.142 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.7 172.49 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.839 ' HB3' HD12 ' A' ' 105' ' ' ILE . 82.0 tt0 -148.6 102.91 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -123.13 150.64 16.84 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 19.8 mtt180 -161.09 162.03 31.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.797 HD13 ' HA ' ' A' ' 95' ' ' GLU . 1.7 tp -55.65 109.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.834 ' CD2' HG11 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -45.75 173.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 111.046 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 27' ' ' TYR . 28.7 m-20 -169.26 173.57 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -61.9 -48.84 78.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -42.39 95.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.866 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -68.54 -42.58 78.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -51.14 -42.27 60.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.2 -27.3 68.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 31' ' ' ARG . 51.9 mt -73.62 130.15 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' CD ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -129.42 166.37 26.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.3 Cg_endo -75.01 87.72 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.79 52.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -165.12 -170.14 1.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 13.3 t -136.74 150.94 27.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mt -126.31 140.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.1 OUTLIER -115.33 135.92 53.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.635 ' CD1' HD22 ' A' ' 7' ' ' LEU . 38.5 m-85 -112.88 131.56 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' CG ' HD11 ' A' ' 12' ' ' LEU . 16.9 mm-40 61.37 40.99 13.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.52 -61.97 1.44 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.19 34.02 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.655 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.72 -40.23 55.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.777 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -134.29 123.63 24.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -107.06 138.06 43.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.807 HG12 ' HB3' ' A' ' 107' ' ' PRO . 32.9 m -136.8 158.86 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.42 129.43 37.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.503 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 59.7 t -64.3 142.3 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.16 -41.67 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.7 163.66 9.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.762 HG13 HG22 ' A' ' 103' ' ' ILE . 0.8 OUTLIER -120.53 149.07 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 3.0 mtt85 -151.83 154.58 36.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.65 ' HA ' HG12 ' A' ' 101' ' ' VAL . 2.4 t -126.19 144.55 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.526 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 37.3 m-85 -130.04 175.15 9.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -74.92 -44.01 51.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.69 167.11 31.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.939 ' O ' HD22 ' A' ' 64' ' ' LEU . 2.6 m-85 -56.42 -36.88 69.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -56.54 -48.7 76.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -61.98 -29.96 70.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.921 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 1.3 mtp -75.66 -49.58 17.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.939 HD22 ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -73.22 -27.75 61.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.3 mm-40 -72.3 -44.41 62.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -84.77 -63.38 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 22' ' ' ILE . 2.2 tp10 -60.36 -55.06 38.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.48 128.58 2.92 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.054 HD11 HG11 ' A' ' 76' ' ' VAL . 12.9 tp -59.25 -59.37 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.69 -8.64 29.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.232 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.456 ' HA ' ' CD ' ' A' ' 21' ' ' LYS . 8.2 m-80 -94.92 6.88 47.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.142 HG22 HG22 ' A' ' 22' ' ' ILE . 87.3 t -138.37 -53.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.928 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -115.68 87.48 17.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.84 4.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.539 1.81 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.24 -33.17 3.56 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.132 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.054 HG11 HD11 ' A' ' 69' ' ' LEU . 2.9 p -38.47 155.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.79 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -85.22 -34.41 22.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 t -172.7 170.14 4.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.413 HG12 HD22 ' A' ' 69' ' ' LEU . 5.6 mt -57.06 -35.65 48.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -47.98 74.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.73 -37.58 87.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.73 -43.82 60.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.498 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.2 mt -63.95 -37.74 80.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -62.11 -37.35 84.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.33 -49.26 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.599 ' HE1' HD13 ' A' ' 73' ' ' LEU . 3.8 m-30 -60.81 -22.15 63.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.66 -47.72 45.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.252 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -75.2 -20.97 59.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 1.3 m-85 -91.42 -55.59 3.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -115.17 148.03 39.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.18 144.54 55.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.03 -32.72 61.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -51.57 51.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -36.14 81.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.797 ' HA ' HD13 ' A' ' 26' ' ' LEU . 3.2 tm-20 -64.92 -53.07 52.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -65.23 -18.66 65.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -59.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -100.36 -55.1 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.55 -165.01 13.88 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.755 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.3 t -99.22 155.11 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.834 HG11 ' CD2' ' A' ' 27' ' ' TYR . 3.4 m -137.66 107.62 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.921 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -81.41 98.09 8.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.762 HG22 HG13 ' A' ' 54' ' ' ILE . 30.8 pt -96.99 134.64 33.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 8.3 tt0 -90.53 120.29 31.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.839 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -125.01 163.65 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.46 107.62 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.807 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 106.82 2.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.17 83.48 3.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -119.7 -7.42 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 22.9 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mmt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.486 0.184 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -68.52 110.39 4.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.592 ' HB3' HG23 ' A' ' 40' ' ' ILE . 97.6 m95 -87.4 132.64 33.91 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -129.45 131.65 46.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 12.9 mmt -124.1 -159.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.33 58.13 0.28 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.076 HD21 ' CG ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -75.82 176.28 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.99 157.17 35.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -61.29 -50.18 74.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -54.96 -32.87 61.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.623 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -75.59 -28.16 58.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.826 HD22 ' CB ' ' A' ' 47' ' ' LEU . 37.9 mt -64.17 -46.76 82.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.85 -31.61 71.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 74' ' ' PRO . 8.0 mt -60.57 -45.35 94.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.807 HG22 ' HG3' ' A' ' 107' ' ' PRO . 2.2 mp -57.81 -35.56 51.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -66.02 -35.16 79.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.8 -20.12 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' CZ ' ' OE1' ' A' ' 23' ' ' GLU . 12.7 mtt180 -76.87 -0.56 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -74.46 -9.25 58.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -118.86 -7.73 10.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 66.1 mttt -115.69 -116.24 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.686 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.34 171.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.319 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.797 ' HB3' HD12 ' A' ' 105' ' ' ILE . 19.1 tp10 -145.35 103.01 3.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' A' ' 102' ' ' ALA . . . -115.11 175.48 16.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 175.74 -178.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.337 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.612 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -65.48 130.71 44.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.766 ' HD1' HG21 ' A' ' 101' ' ' VAL . 5.6 t80 -71.06 75.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.96 -176.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 22.5 mm-40 -69.01 -46.6 67.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -38.67 87.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -58.0 -49.95 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.558 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 6.1 ptm180 -65.34 -20.33 66.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -32.35 61.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.689 ' CG2' HG21 ' A' ' 51' ' ' VAL . 49.4 mt -68.6 143.47 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.85 159.62 69.47 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 94.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.551 1.817 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 153.95 47.53 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.59 -171.96 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.729 HG13 ' O ' ' A' ' 49' ' ' VAL . 73.3 t -136.63 146.31 28.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.132 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.641 ' O ' HG22 ' A' ' 49' ' ' VAL . 4.1 mt -122.14 101.24 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' TRP . 9.3 p -76.45 147.6 37.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.076 ' CG ' HD21 ' A' ' 7' ' ' LEU . 16.2 m-30 -122.22 142.41 50.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG3' HD11 ' A' ' 12' ' ' LEU . 14.3 mm-40 47.96 40.84 13.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.89 -61.72 2.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -173.46 32.06 0.11 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.825 ' HD2' HD13 ' A' ' 12' ' ' LEU . 1.8 tmtt? -75.62 -40.33 56.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.826 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.99 115.42 11.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 12.0 mmtm -99.43 132.73 44.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.731 HG11 HG21 ' A' ' 15' ' ' ILE . 32.6 m -133.99 154.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HB2' HG22 ' A' ' 39' ' ' VAL . 6.0 ttp180 -134.58 120.83 20.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.689 HG21 ' CG2' ' A' ' 34' ' ' ILE . 59.1 t -54.66 140.57 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -41.92 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 103' ' ' ILE . . . -170.37 166.22 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.488 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -120.19 149.67 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 1.5 mmt85 -150.9 149.47 29.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.889 HG13 ' CG1' ' A' ' 101' ' ' VAL . 1.8 t -125.09 145.97 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.533 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 40.3 m-85 -132.6 179.35 6.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -75.68 -45.5 36.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.35 178.99 9.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.69 ' CD1' HG11 ' A' ' 100' ' ' VAL . 4.8 m-85 -69.4 -43.45 73.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -55.3 -32.99 62.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.55 -31.75 63.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.559 ' HG2' ' HB2' ' A' ' 102' ' ' ALA . 1.1 mtp -75.47 -50.97 14.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -65.74 -26.78 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.0 mm-40 -75.54 -39.9 57.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.6 -64.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -62.59 -53.19 58.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.411 ' HA3' ' ND2' ' A' ' 71' ' ' ASN . . . 130.94 121.95 2.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.843 HD11 HG21 ' A' ' 76' ' ' VAL . 25.7 tp -48.87 -58.86 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.28 -14.45 62.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.45 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 72.6 m-20 -91.36 22.49 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.686 HG22 HG22 ' A' ' 22' ' ' ILE . 72.2 t -152.46 -56.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.787 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -113.85 92.78 26.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.449 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.99 115.18 4.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 121.34 -26.0 6.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.843 HG21 HD11 ' A' ' 69' ' ' LEU . 4.9 p -39.82 150.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -85.18 -36.1 21.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.452 ' H ' HG22 ' A' ' 76' ' ' VAL . 19.3 m -170.37 165.76 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.468 ' N ' HD22 ' A' ' 69' ' ' LEU . 16.1 mt -53.05 -36.62 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.28 -49.27 70.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.334 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.68 -40.21 91.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 86' ' ' TYR . . . -52.83 -39.77 56.17 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 4.5 mt -66.93 -33.85 66.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -66.53 -36.35 82.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.54 -41.76 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.77 ' HE1' HD13 ' A' ' 73' ' ' LEU . 1.9 m-30 -69.81 -29.41 66.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -49.01 26.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -53.26 -42.75 66.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -85.04 -55.06 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -97.84 137.67 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.97 141.37 58.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -66.23 -42.47 88.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.77 -55.03 40.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -38.08 82.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.6 OUTLIER -64.14 -53.14 54.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -65.34 -15.67 62.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -58.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -99.27 -51.84 3.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.98 -135.45 10.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.0 t -133.25 153.78 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.889 ' CG1' HG13 ' A' ' 56' ' ' VAL . 5.4 m -137.3 110.14 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.559 ' HB2' ' HG2' ' A' ' 63' ' ' MET . . . -82.24 97.7 8.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 53' ' ' ALA . 2.6 mp -89.78 135.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 16.7 tt0 -91.83 113.67 26.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.797 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -119.4 167.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -159.59 113.24 1.51 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.807 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.4 Cg_endo -75.04 112.2 3.5 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 82.08 4.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 110' ' ' TYR . 1.4 tp10 -130.14 -101.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.412 ' N ' ' CG ' ' A' ' 109' ' ' GLU . 30.4 m-85 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.437 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.526 0.203 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -64.51 117.13 6.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 1' ' ' MET . 41.2 m95 -94.45 154.88 17.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.03 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -139.48 123.57 17.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.41 ' HG3' HG21 ' A' ' 40' ' ' ILE . 2.1 mmt -129.63 -175.29 3.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.71 142.32 9.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.8 pt? -168.43 149.73 4.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -40.64 139.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.326 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 -31.75 42.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.39 -36.13 77.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.77 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.07 -38.42 66.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.727 HD12 ' HG ' ' A' ' 7' ' ' LEU . 6.1 mp -55.2 -41.33 71.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.96 -31.41 72.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 74' ' ' PRO . 18.8 mt -67.87 -44.66 76.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.73 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.6 mp -56.18 -45.42 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.594 ' HE2' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -54.82 -31.28 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.409 ' O ' ' CD ' ' A' ' 21' ' ' LYS . 2.0 mt -85.67 -19.77 30.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 72' ' ' VAL . 6.8 mtt85 -73.93 0.56 13.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.68 -29.83 63.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.78 0.29 28.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HB3' ' C ' ' A' ' 71' ' ' ASN . 6.8 mptt -118.77 -114.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -166.95 175.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.66 ' N ' HG23 ' A' ' 22' ' ' ILE . 38.0 tt0 -144.55 99.42 3.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' O ' ' CG ' ' A' ' 25' ' ' ARG . . . -86.06 -178.17 49.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 4.4 mmm-85 158.91 121.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.588 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.04 133.0 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.588 ' N ' HD12 ' A' ' 26' ' ' LEU . 7.0 t80 -61.78 101.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.19 -168.1 1.51 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.3 mt-10 -75.87 -41.83 51.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.272 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -41.93 86.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.79 -51.76 67.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 27' ' ' TYR . 15.5 ptp180 -63.86 -21.32 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -37.0 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.683 ' CG2' HG21 ' A' ' 51' ' ' VAL . 73.5 mt -75.08 160.3 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.14 164.11 24.9 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.4 Cg_endo -75.0 103.78 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.57 -35.6 0.94 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -75.25 -179.47 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.691 HG13 ' O ' ' A' ' 49' ' ' VAL . 21.7 t -138.95 151.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.591 HD12 HG23 ' A' ' 49' ' ' VAL . 1.5 mt -120.08 152.12 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 5.0 m -124.75 125.29 43.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CD1' HD21 ' A' ' 7' ' ' LEU . 47.7 m-85 -98.13 151.85 19.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 39.14 40.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.87 -63.21 2.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.433 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -168.03 29.08 0.16 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.547 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -75.58 -31.48 60.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.794 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.73 HD21 ' CG2' ' A' ' 15' ' ' ILE . 44.0 tp -151.79 132.37 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.3 OUTLIER -126.8 150.02 49.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.691 ' O ' HG13 ' A' ' 39' ' ' VAL . 17.8 m -140.13 160.0 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.707 ' NH1' HD22 ' A' ' 108' ' ' LEU . 8.9 ttm105 -128.57 116.58 19.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.683 HG21 ' CG2' ' A' ' 34' ' ' ILE . 79.4 t -54.61 133.49 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.64 -44.22 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -171.02 157.53 5.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.579 HD11 HG12 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -109.75 149.36 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 10.8 mmm180 -142.7 155.5 44.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG13 HG12 ' A' ' 101' ' ' VAL . 2.6 t -131.88 140.76 47.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 63' ' ' MET . 24.9 m-85 -132.22 178.29 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -45.44 38.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -154.01 166.27 33.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.847 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -57.92 -36.68 72.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -42.15 77.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.44 -42.9 91.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.845 ' HG2' ' HB2' ' A' ' 102' ' ' ALA . 1.4 mtp -61.86 -49.76 74.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.776 HD11 ' HE2' ' A' ' 86' ' ' TYR . 8.0 mt -66.5 -29.3 69.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.69 -43.11 39.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.09 -52.15 66.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.19 123.74 2.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.043 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.006 HD11 HG21 ' A' ' 76' ' ' VAL . 11.7 tp -56.59 -58.69 6.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.36 -18.82 65.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.415 ' C ' ' HB3' ' A' ' 21' ' ' LYS . 74.0 m-20 -89.8 12.37 17.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 22' ' ' ILE . 55.0 t -137.3 -58.2 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.681 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -112.42 97.36 39.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.55 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -74.97 117.18 4.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.54 -23.12 12.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.006 HG21 HD11 ' A' ' 69' ' ' LEU . 14.9 p -40.32 148.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -85.45 -37.11 20.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.2 m -167.36 165.56 14.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.564 ' O ' HD12 ' A' ' 83' ' ' ILE . 26.9 mt -54.98 -39.38 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -45.27 85.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.74 -38.96 93.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.91 -50.39 61.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.3 mt -57.54 -40.68 76.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.74 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -57.62 -37.56 73.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.29 -49.48 80.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.776 ' HE2' HD11 ' A' ' 64' ' ' LEU . 17.3 m-85 -64.81 -30.03 71.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.46 -34.73 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -64.01 -48.02 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -79.42 -52.27 8.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -92.21 143.03 26.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.68 147.6 51.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.96 -34.63 64.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -54.72 24.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -41.78 89.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.9 tm-20 -61.98 -52.56 63.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -65.07 -13.41 57.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -74.28 -59.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -97.26 -53.36 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.02 -133.31 8.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.847 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.8 t -133.04 151.59 34.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.567 HG21 ' HD1' ' A' ' 27' ' ' TYR . 12.7 m -137.27 108.18 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.357 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 63' ' ' MET . . . -74.15 98.24 3.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.579 HG12 HD11 ' A' ' 54' ' ' ILE . 2.9 mt -86.15 126.42 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 29.3 tt0 -93.17 106.62 18.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.548 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -107.01 173.98 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.565 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.2 OUTLIER -154.88 101.32 2.33 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.631 ' CB ' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.97 104.31 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.707 HD22 ' NH1' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -87.98 87.86 7.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -146.67 -104.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.456 0.17 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.71 146.39 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -101.7 144.6 30.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.017 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.1 140.06 34.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.6 mtt -140.02 -172.58 3.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.45 62.57 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.78 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -75.97 -175.67 3.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.34 152.3 38.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.45 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.2 tt0 -62.3 -49.8 74.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.76 -32.48 43.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -75.19 -32.53 61.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.992 HD21 ' HB3' ' A' ' 42' ' ' PHE . 24.3 mt -60.94 -45.77 93.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.87 -34.06 67.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.35 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD22 ' HG2' ' A' ' 74' ' ' PRO . 19.0 mt -59.53 -44.99 93.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.847 HG21 HG11 ' A' ' 49' ' ' VAL . 2.6 mp -56.64 -37.03 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.4 ttmt -64.13 -30.73 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -85.16 -21.89 29.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 mtt180 -78.45 1.61 21.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -72.46 -11.74 60.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.77 7.28 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 9.5 mttt -126.15 -115.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.049 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -168.19 178.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.707 ' N ' HG23 ' A' ' 22' ' ' ILE . 11.9 pt-20 -144.47 133.0 22.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.19 155.59 21.47 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' HG2' ' CZ ' ' A' ' 31' ' ' ARG . 17.5 tpt180 175.88 101.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 0.79 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -38.56 141.41 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.624 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.8 t80 -70.79 86.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.89 -174.65 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -69.03 -42.4 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -65.1 -44.31 89.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.1 mmt180 -56.82 -44.83 82.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 9.0 mtp-105 -51.7 -35.82 44.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -26.85 60.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 31' ' ' ARG . 55.9 mt -73.07 146.67 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -147.14 163.41 28.52 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.508 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.3 Cg_endo -74.99 98.67 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.489 1.784 . . . . 0.0 111.015 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.38 -34.44 0.38 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -75.49 -173.31 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 49' ' ' VAL . 66.3 t -136.03 155.91 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.479 HD12 HG23 ' A' ' 49' ' ' VAL . 3.7 mt -125.45 112.63 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.3 p -92.03 119.57 31.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.028 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.992 ' HB3' HD21 ' A' ' 12' ' ' LEU . 13.4 m-85 -101.35 147.06 26.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.934 ' HG3' HD11 ' A' ' 12' ' ' LEU . 49.1 mt-10 45.51 32.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.69 -62.34 1.97 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' HA2' ' CE ' ' A' ' 48' ' ' LYS . . . -166.55 26.79 0.16 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -76.6 -36.47 57.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.857 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -144.43 113.07 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' CE ' ' HA2' ' A' ' 45' ' ' GLY . 8.7 mmtp -107.88 135.74 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.847 HG11 HG21 ' A' ' 15' ' ' ILE . 18.1 m -135.61 151.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB2' HG22 ' A' ' 39' ' ' VAL . 32.1 ttm180 -127.62 121.48 30.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 36' ' ' PRO . 66.2 t -54.66 138.71 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 -42.06 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.19 161.24 14.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' CD1' HG12 ' A' ' 103' ' ' ILE . 2.0 tt -118.15 149.9 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.44 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 6.0 mtm180 -142.97 164.33 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.359 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG13 HG12 ' A' ' 101' ' ' VAL . 1.5 t -135.78 139.75 45.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 53.1 m-85 -132.29 178.73 6.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.02 -45.69 33.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.8 178.5 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.001 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 86' ' ' TYR . 84.0 m-85 -61.29 -37.63 83.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 65' ' ' GLU . 0.2 OUTLIER -55.71 -56.97 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -53.97 -32.13 52.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.548 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 11.3 mtp -75.26 -43.12 53.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -73.16 -32.89 65.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -76.31 -45.4 32.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -80.63 -64.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' MET . 1.8 tp10 -60.89 -51.44 69.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.625 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.62 126.14 2.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.49 1.118 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.935 HD11 HG21 ' A' ' 76' ' ' VAL . 18.6 tp -56.92 -60.25 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -67.82 -16.62 64.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' ILE . 3.4 m-20 -89.41 11.28 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.049 HG22 HG22 ' A' ' 22' ' ' ILE . 83.2 t -137.33 -58.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.766 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.5 OUTLIER -111.05 98.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.478 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.2 Cg_endo -75.08 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.53 -25.04 9.35 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.935 HG21 HD11 ' A' ' 69' ' ' LEU . 13.8 p -38.81 146.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -38.98 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -162.15 165.85 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.72 ' O ' HD12 ' A' ' 83' ' ' ILE . 34.5 mt -55.5 -44.41 76.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -48.51 79.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.39 -49.84 73.13 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.409 1.068 . . . . 0.0 110.98 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.4 mp -57.73 -35.9 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -60.21 -35.97 76.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.479 HG11 HD11 ' A' ' 73' ' ' LEU . 1.3 t -65.15 -42.39 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 19.4 m-85 -72.96 -25.2 60.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NE ' ' HB3' ' A' ' 92' ' ' GLU . 1.3 tpp85 -74.55 -38.83 62.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 mtp85 -65.24 -44.73 87.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -80.14 -55.16 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.576 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -96.02 142.06 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.02 151.03 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 4.0 pt-20 -75.51 -25.56 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -55.63 6.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -44.79 86.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.59 ' HG3' ' CZ ' ' A' ' 60' ' ' PHE . 8.1 tm-20 -62.35 -49.6 74.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 19.7 mmtt -57.34 -17.12 10.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -59.69 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -101.52 -55.66 2.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 123.83 -141.6 13.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.514 HG21 ' N ' ' A' ' 60' ' ' PHE . 1.8 t -123.92 124.51 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.624 HG21 ' HD1' ' A' ' 27' ' ' TYR . 10.6 m -106.19 107.05 21.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.06 97.84 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.457 HD11 HG23 ' A' ' 101' ' ' VAL . 2.5 mt -93.51 123.16 45.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -82.34 108.44 15.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.573 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -110.8 158.33 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.598 ' O ' HD13 ' A' ' 108' ' ' LEU . 21.5 mm-40 -145.45 112.86 4.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.25 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.769 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.94 119.57 5.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.475 1.776 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.699 HD13 ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -101.08 28.82 5.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 110' ' ' TYR . 7.8 tp10 -69.4 -96.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.444 ' N ' ' HG3' ' A' ' 109' ' ' GLU . 14.6 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.501 0.191 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -66.82 146.33 54.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -94.67 145.21 25.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -136.49 128.61 29.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.621 ' CE ' HG21 ' A' ' 40' ' ' ILE . 4.4 mtt -131.11 -174.78 3.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.553 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -149.42 148.03 18.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.914 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -168.13 -178.86 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -73.69 155.26 39.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.79 -49.17 78.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.04 -33.41 62.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.914 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -75.27 -29.37 60.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.95 HD22 ' HB2' ' A' ' 47' ' ' LEU . 16.5 mt -64.87 -49.39 70.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -61.41 -30.81 70.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 14' ' ' LEU . 10.7 mt -59.12 -37.57 77.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.3 mp -60.98 -44.68 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HE2' HD21 ' A' ' 47' ' ' LEU . 4.6 ttmt -67.24 -28.45 68.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 mt -79.9 -48.02 14.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.7 OUTLIER -77.66 3.97 12.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.338 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.9 OUTLIER -69.05 -30.67 69.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -84.9 5.59 28.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 66.3 mmtt -126.23 -103.23 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.079 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -163.82 179.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.708 ' N ' HG23 ' A' ' 22' ' ' ILE . 8.7 tt0 -143.54 112.33 6.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -80.7 165.99 48.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER 170.27 110.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.563 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -38.78 135.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.663 ' HD1' HG11 ' A' ' 101' ' ' VAL . 2.1 t80 -71.23 86.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.1 -164.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -72.88 -47.93 41.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.95 -41.3 87.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -58.03 -52.2 66.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 13.2 ptm180 -64.97 -23.86 67.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -33.06 65.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 98.4 mt -75.19 147.46 8.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.31 163.05 53.74 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.77 51.9 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -164.02 -170.71 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 0.739 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 33.8 t -139.33 147.22 24.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -122.65 106.75 18.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 100.0 p -82.76 123.27 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.032 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.906 ' CD1' HD21 ' A' ' 7' ' ' LEU . 21.2 m-85 -97.21 149.57 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 40.91 42.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.99 -62.6 1.86 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.123 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' CA ' ' HE3' ' A' ' 48' ' ' LYS . . . -173.26 29.9 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.853 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -76.63 -40.36 49.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.95 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -136.53 116.01 12.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -108.03 137.74 45.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 107' ' ' PRO . 4.2 m -136.98 144.9 30.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -121.59 122.23 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.258 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 36' ' ' PRO . 54.6 t -57.45 145.24 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.08 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.49 -42.63 3.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -169.59 159.62 8.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.569 ' CD1' ' CG2' ' A' ' 103' ' ' ILE . 0.5 OUTLIER -111.57 148.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.734 ' C ' HG23 ' A' ' 101' ' ' VAL . 5.8 mmt180 -148.42 113.94 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.2 t -95.31 146.55 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.551 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 34.3 m-85 -129.82 -177.57 4.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -75.84 -46.43 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -156.86 167.36 30.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.786 ' CD1' ' CE2' ' A' ' 86' ' ' TYR . 0.2 OUTLIER -59.63 -38.27 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.9 ttm180 -56.46 -37.04 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.69 -37.8 67.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.551 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 2.8 mtp -64.98 -49.72 69.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.765 HD22 ' HA ' ' A' ' 69' ' ' LEU . 40.6 mt -65.93 -29.7 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.3 mm-40 -75.9 -43.74 43.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.07 -65.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' MET . 5.8 mm-40 -60.11 -53.18 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.48 125.07 2.69 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.949 ' CD1' HG11 ' A' ' 76' ' ' VAL . 15.2 tp -53.36 -60.83 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -68.27 -9.33 46.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.472 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 1.5 m-20 -95.07 3.04 55.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.079 HG22 HG22 ' A' ' 22' ' ' ILE . 47.0 t -134.93 -46.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.969 HD23 ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.81 92.44 48.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.82 8.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 109.3 -26.98 13.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.969 ' HB ' HD23 ' A' ' 73' ' ' LEU . 11.3 p -39.51 152.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -85.55 -37.44 19.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.449 ' H ' HG22 ' A' ' 76' ' ' VAL . 15.0 t -168.79 171.47 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.011 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.1 mt -58.3 -38.91 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -46.79 78.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.51 -40.71 97.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -46.28 60.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.55 1.156 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.7 mt -58.65 -39.84 77.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -58.11 -38.15 75.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -64.72 -45.03 96.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.786 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 11.5 m-30 -65.32 -32.9 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -36.32 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.33 -53.28 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -76.33 -49.69 16.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.559 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -101.65 143.74 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 142.21 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.1 -30.94 67.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.39 -52.88 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -38.84 87.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.563 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -64.97 -53.24 49.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -65.51 -15.26 62.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -74.54 -59.33 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -95.34 -55.01 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.31 -154.13 19.39 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.757 HG11 ' CD1' ' A' ' 60' ' ' PHE . 1.6 t -120.83 151.35 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.734 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.734 HG23 ' C ' ' A' ' 55' ' ' ARG . 4.9 p -137.65 116.53 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.36 98.64 11.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.569 ' CG2' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -89.44 133.1 32.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -89.5 107.94 19.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.587 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -103.71 158.08 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.786 ' O ' HD23 ' A' ' 108' ' ' LEU . 2.8 pt-20 -137.86 101.05 8.77 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.792 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.04 106.98 2.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -98.32 62.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -105.91 -19.87 13.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.3 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.477 0.18 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -137.12 155.12 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -149.23 139.03 21.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -116.37 169.1 9.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 1.9 mtm -174.08 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.46 140.29 18.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -165.11 -178.97 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.34 155.81 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' HG3' ' CE ' ' A' ' 46' ' ' LYS . 12.8 tt0 -62.44 -40.27 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -53.85 -36.86 63.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.659 ' HB3' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -72.68 -30.3 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.022 HD22 ' CB ' ' A' ' 47' ' ' LEU . 54.3 mt -68.1 -48.56 65.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.883 ' O ' HD12 ' A' ' 17' ' ' LEU . 34.2 tt0 -56.25 -29.29 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' HG2' ' A' ' 74' ' ' PRO . 12.9 mt -66.36 -43.86 84.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.794 HD12 HH11 ' A' ' 18' ' ' ARG . 1.0 OUTLIER -56.65 -38.1 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -65.59 -31.7 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -82.44 -19.61 38.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.794 HH11 HD12 ' A' ' 15' ' ' ILE . 9.0 mtt180 -80.68 0.4 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -73.1 -22.61 60.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.03 -3.85 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 3.3 mttt -113.7 -111.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.024 ' CG2' HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -168.04 175.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.667 ' N ' HG23 ' A' ' 22' ' ' ILE . 4.5 tt0 -142.36 108.22 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' H ' HG13 ' A' ' 72' ' ' VAL . . . -77.42 179.49 50.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.3 OUTLIER 158.48 135.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 110.336 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.688 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -59.4 142.36 52.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.688 ' N ' HD12 ' A' ' 26' ' ' LEU . 13.8 t80 -75.48 68.56 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.46 -166.87 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 1.6 mt-10 -76.23 -44.12 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -67.13 -41.13 86.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -51.65 68.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 29' ' ' GLU . 12.9 ptm180 -63.71 -28.16 69.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -29.49 60.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.709 ' CG2' HG21 ' A' ' 51' ' ' VAL . 83.8 mt -72.18 123.66 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 161.64 22.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 86.86 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.56 -30.91 0.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.45 -171.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 49' ' ' VAL . 86.0 t -139.92 146.18 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 49' ' ' VAL . 6.3 mt -120.5 102.29 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -80.19 147.69 31.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.862 ' HB3' HD21 ' A' ' 12' ' ' LEU . 19.7 m-85 -128.19 133.9 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 56.07 38.22 29.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.33 -63.06 2.38 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.467 1.104 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -169.34 28.59 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.12 -37.3 58.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.022 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -139.39 112.25 7.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 9.4 mmtm -105.59 131.95 52.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 107' ' ' PRO . 17.1 m -133.79 151.21 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' HB2' HG22 ' A' ' 39' ' ' VAL . 31.1 ttt180 -129.05 116.49 19.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.709 HG21 ' CG2' ' A' ' 34' ' ' ILE . 95.4 t -46.12 123.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -47.93 7.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -161.84 148.66 14.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.362 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -102.73 141.85 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.821 ' O ' HG23 ' A' ' 101' ' ' VAL . 6.6 mmt85 -143.77 144.57 31.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.35 145.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.542 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 48.3 m-85 -133.16 -178.19 4.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.93 -46.16 31.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -160.13 176.76 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.575 ' CD1' HG11 ' A' ' 100' ' ' VAL . 65.6 m-85 -61.52 -39.26 90.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.8 tpp85 -56.13 -48.83 75.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -63.47 -33.13 74.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.542 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 8.9 mtp -72.08 -50.2 30.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.684 HD22 ' HA ' ' A' ' 69' ' ' LEU . 21.6 mt -70.5 -27.11 63.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' OE2' ' CD1' ' A' ' 79' ' ' ILE . 15.5 mm-40 -75.2 -50.54 15.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 -64.66 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -54.87 -47.27 74.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 121.99 128.3 3.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.811 HD11 HG11 ' A' ' 76' ' ' VAL . 16.1 tp -61.45 -59.92 4.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.59 -11.06 57.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.507 HD22 ' N ' ' A' ' 71' ' ' ASN . 1.9 m-80 -94.36 8.68 41.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.024 HG22 ' CG2' ' A' ' 22' ' ' ILE . 92.7 t -136.18 -54.0 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.92 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -118.55 93.21 45.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 116.28 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 118.05 -25.51 8.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.92 ' HB ' HD23 ' A' ' 73' ' ' LEU . 5.8 p -39.5 153.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.55 -34.3 21.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 m -171.43 166.57 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.726 ' O ' HD12 ' A' ' 83' ' ' ILE . 20.1 mt -53.44 -43.34 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -43.77 98.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.56 -38.34 90.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.51 -48.85 63.21 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.726 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mp -58.57 -40.54 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -58.09 -38.18 75.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.78 -50.58 74.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.659 ' HE2' HD11 ' A' ' 64' ' ' LEU . 19.5 m-85 -66.06 -34.73 78.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -73.53 -30.88 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -61.88 -53.41 56.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -79.22 -49.49 12.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.58 142.48 27.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.51 145.09 54.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -74.79 -27.67 60.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.92 -54.46 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.37 77.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' HG3' ' CE2' ' A' ' 60' ' ' PHE . 2.0 tm-20 -64.5 -49.43 71.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -63.8 -14.38 52.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -75.23 -59.07 2.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -97.36 -54.99 2.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.29 -155.63 20.88 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.575 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.8 t -112.68 155.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 55' ' ' ARG . 3.3 p -135.86 108.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.433 ' HB1' HD12 ' A' ' 22' ' ' ILE . . . -80.93 98.08 7.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.473 HG13 HG22 ' A' ' 101' ' ' VAL . 2.9 mp -95.29 113.0 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -67.54 106.88 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.918 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.0 pp -97.56 147.34 6.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -149.49 108.49 3.35 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.607 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 120.69 6.17 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.13 76.37 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.27 -142.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mtp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.545 0.212 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -139.91 146.13 38.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -112.26 146.93 37.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.002 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.08 159.73 35.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.38 -175.59 3.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.719 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -157.3 140.43 7.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -171.39 146.76 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -40.23 144.5 0.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -55.91 -35.49 66.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.19 -33.27 75.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' O ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -75.25 -26.34 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.013 HD22 ' CB ' ' A' ' 47' ' ' LEU . 18.4 mt -68.73 -51.09 45.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.7 -25.64 41.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 8.7 mt -68.0 -36.57 80.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.513 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.7 mp -60.72 -41.3 87.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.147 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 3.5 ttmt -67.32 -50.86 58.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -46.67 87.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.513 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -78.29 4.57 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -68.96 -29.16 67.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.16 9.55 12.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.8 mttt -128.85 -107.66 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.66 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -161.5 173.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.604 ' N ' HG23 ' A' ' 22' ' ' ILE . 9.2 tt0 -141.49 108.35 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -77.02 176.0 53.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.148 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER 161.24 100.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -36.46 123.01 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.247 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.728 ' CD1' HG21 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -55.87 158.51 3.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.971 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.09 -174.0 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.89 -49.25 68.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -47.21 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.52 -37.79 87.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -55.59 -36.22 66.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 31' ' ' ARG . 77.1 mt -72.67 129.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.9 160.49 66.46 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 85.92 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.72 47.95 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.91 -170.48 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.641 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -136.02 141.1 42.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.82 130.1 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.31 139.29 34.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.798 ' CD1' HD21 ' A' ' 7' ' ' LEU . 24.6 m-85 -120.08 147.61 44.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' PHE . 23.4 mm-40 38.04 40.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.15 -62.66 1.49 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.8 30.36 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD2' ' CD1' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -76.17 -40.06 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.013 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -134.84 116.86 15.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.7 mmtp -110.53 126.5 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 107' ' ' PRO . 4.8 m -127.9 163.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.641 ' HB2' HG22 ' A' ' 39' ' ' VAL . 3.3 ttm180 -135.11 118.87 17.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.89 141.21 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -109.72 -42.7 4.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.3 163.65 15.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.753 HD12 HG12 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -118.28 144.74 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -141.91 155.61 45.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.735 HG13 HG12 ' A' ' 101' ' ' VAL . 1.8 t -135.07 139.61 46.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 29.2 m-85 -129.7 -179.35 5.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.69 -45.72 35.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -159.28 167.12 29.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.785 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.6 OUTLIER -56.99 -34.83 68.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 1.4 tmm_? -56.93 -38.61 73.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.0 -36.08 66.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.653 ' SD ' HG12 ' A' ' 100' ' ' VAL . 4.5 mtp -70.75 -48.58 53.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD11 ' HE2' ' A' ' 86' ' ' TYR . 14.5 mt -67.63 -30.72 70.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 11.1 mm-40 -76.28 -50.15 15.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.12 -65.01 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -56.88 -50.71 71.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 128.67 129.82 3.22 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.89 HD11 HG11 ' A' ' 76' ' ' VAL . 17.0 tp -63.85 -59.85 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 0.806 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.54 -13.95 62.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.728 HD22 ' N ' ' A' ' 71' ' ' ASN . 0.9 OUTLIER -93.46 11.9 26.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 68' ' ' GLY . 86.0 t -137.94 -49.62 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.812 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.04 93.73 43.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.02 4.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 126.95 -34.86 3.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.89 HG11 HD11 ' A' ' 69' ' ' LEU . 9.9 p -38.56 148.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -83.37 -38.7 21.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.3 m -161.86 167.23 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' HA ' HD13 ' A' ' 69' ' ' LEU . 54.8 mt -55.81 -35.08 38.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -49.25 69.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.74 -37.54 87.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.427 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -52.9 -46.09 60.91 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.425 1.078 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.543 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 6.6 mt -62.07 -38.57 81.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -60.43 -36.34 77.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -64.5 -40.87 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.785 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 8.8 m-30 -68.2 -20.91 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -43.43 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.88 -24.18 59.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -93.93 -55.46 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -111.46 156.04 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.54 143.92 44.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.43 -32.8 62.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.06 -54.67 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -39.52 75.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.847 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.9 tm-20 -63.16 -53.17 57.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -13.92 59.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -73.2 -58.94 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -99.99 -54.51 2.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.23 -164.78 18.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.728 HG21 ' N ' ' A' ' 60' ' ' PHE . 3.6 t -100.39 151.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.735 HG12 HG13 ' A' ' 56' ' ' VAL . 17.2 m -137.02 106.78 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.569 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -80.09 98.84 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.753 HG12 HD12 ' A' ' 54' ' ' ILE . 2.1 mp -94.16 139.08 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.477 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.7 tt0 -95.09 116.23 28.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.631 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.1 OUTLIER -111.58 158.21 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.14 102.25 7.49 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.684 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.98 98.65 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' H ' HD12 ' A' ' 108' ' ' LEU . 1.5 mp -59.0 87.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' A' ' 109' ' ' GLU . 0.0 OUTLIER -160.85 -145.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.404 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.563 0.22 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -64.47 133.73 53.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.446 ' HB2' HG23 ' A' ' 40' ' ' ILE . 19.5 m95 -110.65 158.87 18.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.51 153.09 50.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.443 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 5.8 mtm -159.34 158.78 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.61 55.45 0.7 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.1 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.723 ' CD2' ' CD1' ' A' ' 42' ' ' PHE . 2.2 pt? -75.48 171.09 14.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.52 ' O ' HD13 ' A' ' 12' ' ' LEU . 13.0 mt-30 -58.32 149.73 23.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -65.52 -41.54 93.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.26 -36.02 51.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.624 ' HB3' HD12 ' A' ' 7' ' ' LEU . 1.7 m-85 -71.16 -41.17 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 47' ' ' LEU . 10.7 mp -50.6 -39.77 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.748 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -70.73 -24.55 62.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 14' ' ' LEU . 13.2 mt -74.76 -42.35 58.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.452 ' HA ' ' CD ' ' A' ' 18' ' ' ARG . 0.6 OUTLIER -56.41 -35.87 45.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HE2' HD21 ' A' ' 47' ' ' LEU . 1.6 ttmt -65.06 -28.82 69.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -85.29 -24.46 27.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.63 ' HB2' HD11 ' A' ' 105' ' ' ILE . 1.6 mtt180 -76.79 1.37 17.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -71.23 -11.92 61.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 -3.31 9.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -117.33 -112.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.982 ' CG2' HG22 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -167.21 -167.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.762 ' N ' HG23 ' A' ' 22' ' ' ILE . 17.5 tt0 -148.92 127.23 12.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.38 143.24 16.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . 4.7 tpp180 177.59 105.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.293 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.732 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.12 153.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.732 ' N ' HD12 ' A' ' 26' ' ' LEU . 1.5 t80 -75.36 93.05 2.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -86.07 178.74 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.31 -41.23 96.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -47.39 76.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -56.97 -39.63 74.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.571 ' HG3' ' CE2' ' A' ' 27' ' ' TYR . 3.7 ttt180 -54.36 -46.28 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -21.62 59.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.545 ' CG2' HG21 ' A' ' 51' ' ' VAL . 28.4 mt -70.68 149.65 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 161.19 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.527 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 105.69 2.13 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.79 -28.45 1.29 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.507 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 8.5 m-20 -75.08 -178.2 3.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.579 HG22 ' HB2' ' A' ' 50' ' ' ARG . 35.6 t -138.86 151.56 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.446 HG23 ' HB2' ' A' ' 3' ' ' TRP . 1.3 mp -124.96 127.84 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 5' ' ' MET . 0.6 OUTLIER -93.24 123.93 36.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.723 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 40.7 m-85 -107.13 139.66 41.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 47.51 43.18 15.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.31 -63.98 2.99 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.03 28.24 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -76.89 -36.95 56.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.709 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.68 126.37 20.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.67 130.61 51.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.597 HG12 ' HB3' ' A' ' 107' ' ' PRO . 12.3 m -130.18 150.69 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.579 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -123.25 118.07 26.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.345 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.545 HG21 ' CG2' ' A' ' 34' ' ' ILE . 85.2 t -44.71 118.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -50.05 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.35 152.96 17.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.608 HD12 HG12 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -109.14 143.55 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' O ' ' CB ' ' A' ' 101' ' ' VAL . 1.1 mmm180 -140.38 153.4 46.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.256 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.725 ' HA ' HG12 ' A' ' 101' ' ' VAL . 16.6 t -126.77 140.75 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 32.8 m-85 -132.98 173.22 11.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -75.19 -43.24 53.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.4 176.35 12.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.678 ' CD1' HG11 ' A' ' 100' ' ' VAL . 2.6 m-85 -65.08 -36.89 85.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.487 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 3.5 tpp85 -56.49 -45.62 80.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.63 -31.06 71.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.753 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 2.5 mtp -75.42 -49.23 19.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 69' ' ' LEU . 8.1 mt -72.1 -30.22 64.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 6.1 mm-40 -75.32 -44.61 44.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -83.39 -64.35 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.8 OUTLIER -60.64 -53.32 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.725 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 127.71 128.14 3.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 76' ' ' VAL . 12.0 tp -58.36 -59.3 5.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.75 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -66.4 -9.83 37.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.571 ' O ' HG22 ' A' ' 22' ' ' ILE . 3.3 m-20 -95.68 10.05 38.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.982 HG22 ' CG2' ' A' ' 22' ' ' ILE . 48.5 t -137.42 -50.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.827 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -119.83 97.74 49.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 112.49 -17.17 23.78 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 69' ' ' LEU . 5.3 p -39.33 152.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -85.69 -32.75 21.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.589 ' H ' HG22 ' A' ' 76' ' ' VAL . 3.7 m -175.96 168.29 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.466 ' N ' HD22 ' A' ' 69' ' ' LEU . 16.5 mt -56.22 -44.29 78.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.4 -42.44 92.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.16 -38.1 85.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.21 -47.88 71.9 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.9 mt -57.49 -42.87 81.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -54.95 -38.82 68.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -65.01 -54.62 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.68 ' HE1' HD13 ' A' ' 73' ' ' LEU . 4.9 m-30 -60.86 -22.99 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -48.72 23.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -71.03 -23.15 62.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 2.1 m-85 -88.74 -55.26 3.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.049 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.4 OUTLIER -103.58 154.18 19.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.95 144.85 48.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -72.56 -44.4 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -47.58 74.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -35.69 81.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -64.5 -53.6 45.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -21.44 66.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -59.75 3.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -99.35 -55.46 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.88 -122.26 3.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.678 HG11 ' CD1' ' A' ' 60' ' ' PHE . 3.1 t -140.28 144.28 28.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 0.722 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.83 ' O ' HD12 ' A' ' 103' ' ' ILE . 4.8 m -135.36 107.15 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.753 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -76.23 97.5 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 101' ' ' VAL . 2.8 mp -88.94 123.8 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' OE1' HD11 ' A' ' 22' ' ' ILE . 5.9 tt0 -76.89 106.29 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.968 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.1 pp -103.12 134.75 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.16 111.23 9.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.597 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 116.34 4.56 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.92 69.18 8.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.6 -143.27 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.946 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 mmm . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.505 0.193 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.76 114.31 13.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -100.5 148.57 24.63 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -135.48 119.16 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.477 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -124.65 118.72 27.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.73 61.08 4.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.809 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -74.6 158.05 34.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.3 142.29 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -52.5 -48.51 65.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.77 -37.14 59.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.898 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -69.52 -40.87 76.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.02 HD23 ' HB2' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -50.34 -34.72 24.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -74.58 -30.89 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' C ' ' HD2' ' A' ' 18' ' ' ARG . 13.9 mt -61.45 -45.58 93.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.941 HG22 ' HG3' ' A' ' 107' ' ' PRO . 4.8 mp -56.05 -37.91 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -32.72 74.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.27 -25.69 25.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' NH1' ' O ' ' A' ' 72' ' ' VAL . 9.5 mtt-85 -76.49 1.38 16.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttpp -71.4 -12.03 61.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.05 -2.3 9.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 20.8 mttt -115.05 -114.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.172 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.027 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.3 174.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' HD12 ' A' ' 105' ' ' ILE . 6.1 tp10 -154.45 99.38 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.49 172.17 16.53 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HD3' HD12 ' A' ' 103' ' ' ILE . 0.0 OUTLIER 177.08 145.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 110.282 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.863 HD13 ' HA ' ' A' ' 95' ' ' GLU . 2.7 tp -40.21 117.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 32' ' ' ARG . 3.6 t80 -63.77 90.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.45 -165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.96 -44.75 60.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -61.1 -42.39 98.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.818 ' HA ' HD12 ' A' ' 34' ' ' ILE . 4.3 mmp_? -62.74 -34.27 76.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 11.6 ttt180 -57.08 -43.27 81.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -27.8 68.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 31' ' ' ARG . 67.3 mt -70.35 135.96 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -146.41 163.24 30.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HA ' HG12 ' A' ' 51' ' ' VAL . 18.2 Cg_endo -75.04 102.82 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.81 -34.22 0.88 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -75.22 -178.74 4.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' A' ' 50' ' ' ARG . 79.4 t -137.08 146.34 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.483 HD12 HG23 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -119.47 124.34 72.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p -99.53 103.07 14.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.809 ' CD1' HD21 ' A' ' 7' ' ' LEU . 19.8 m-85 -81.2 135.47 35.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.749 ' HG3' HD11 ' A' ' 12' ' ' LEU . 36.3 mt-10 55.76 41.26 30.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.356 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.3 -60.19 4.58 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.445 1.09 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.69 29.52 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.777 ' HD2' HD22 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -75.95 -40.35 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 0.753 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.02 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -140.57 112.66 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 1.4 mmmm -98.89 139.27 34.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -141.5 148.26 21.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.763 ' HB2' HG22 ' A' ' 39' ' ' VAL . 17.1 ttt-85 -127.86 114.01 16.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 36' ' ' PRO . 65.6 t -44.61 141.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 -41.39 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -170.88 158.04 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 103' ' ' ILE . 7.4 tt -118.04 149.74 20.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.436 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 15.7 mmt180 -142.35 161.38 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.631 HG22 HG12 ' A' ' 101' ' ' VAL . 4.1 t -133.43 143.4 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.532 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 36.2 m-85 -133.16 178.61 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -45.39 38.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 170.59 21.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.968 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.785 ' O ' HD12 ' A' ' 64' ' ' LEU . 2.3 m-85 -60.82 -37.29 81.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -44.57 82.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.02 -40.53 95.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.332 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.92 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 1.7 mtp -62.86 -50.1 72.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.8 OUTLIER -66.66 -31.42 72.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -76.26 -37.44 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -65.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 63' ' ' MET . 2.9 mm-40 -63.28 -54.37 38.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.43 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.97 122.47 2.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.936 ' CD1' HG11 ' A' ' 76' ' ' VAL . 8.8 tp -52.52 -59.78 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.96 -17.51 64.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.411 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 68.7 m-20 -95.28 14.61 21.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.027 HG22 HG22 ' A' ' 22' ' ' ILE . 45.3 t -139.76 -46.39 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.882 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -129.32 96.24 28.47 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 124.72 8.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 113.97 -32.22 6.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.936 HG11 ' CD1' ' A' ' 69' ' ' LEU . 11.2 p -39.79 149.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -85.74 -34.78 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.43 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.9 m -169.0 166.64 11.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.717 ' O ' HD12 ' A' ' 83' ' ' ILE . 69.5 mt -52.82 -39.39 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -47.22 76.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -38.21 86.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -57.77 -50.39 65.99 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 79' ' ' ILE . 4.0 mt -54.94 -39.27 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -55.69 -38.34 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 t -65.18 -40.03 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.355 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.719 ' CD2' ' CD1' ' A' ' 60' ' ' PHE . 10.2 m-85 -74.91 -24.83 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -75.7 -45.64 35.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 16.3 ptp180 -66.88 -36.82 83.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 1.8 m-85 -77.85 -53.25 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.477 ' CE2' ' HA ' ' A' ' 86' ' ' TYR . 0.8 OUTLIER -108.87 146.53 33.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.008 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.31 147.38 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.65 -37.59 73.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.78 -50.23 31.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -56.28 -41.22 75.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.863 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -65.17 -52.85 52.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -65.34 -15.81 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -59.28 2.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.52 -54.2 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.01 -147.71 17.12 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.754 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.2 t -124.38 153.43 30.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.631 HG12 HG22 ' A' ' 56' ' ' VAL . 10.9 m -137.29 107.04 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.92 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -79.01 97.5 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.522 HD12 ' HD3' ' A' ' 25' ' ' ARG . 2.2 mp -88.69 135.93 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.454 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.4 tt0 -94.45 111.59 23.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -106.27 174.34 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.568 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -162.18 100.21 1.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.941 ' HG3' HG22 ' A' ' 15' ' ' ILE . 18.3 Cg_endo -74.98 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.568 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -81.35 78.26 8.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -133.58 -141.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.451 0.167 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.02 102.71 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.491 ' CD1' ' O ' ' A' ' 1' ' ' MET . 16.2 m95 -87.29 154.62 20.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.54 127.68 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.333 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.46 179.1 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.27 49.86 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.567 1.167 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.714 HD21 ' CD1' ' A' ' 42' ' ' PHE . 1.7 pp -75.38 179.57 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.684 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -68.61 153.65 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' HA ' HD12 ' A' ' 12' ' ' LEU . 11.7 tt0 -67.98 -42.76 80.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.7 -33.7 35.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' HB3' HD13 ' A' ' 7' ' ' LEU . 2.8 m-85 -74.83 -28.83 60.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.971 HD22 ' CB ' ' A' ' 47' ' ' LEU . 93.5 mt -63.65 -51.64 64.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.631 ' O ' HD12 ' A' ' 17' ' ' LEU . 3.3 pt-20 -54.67 -24.81 23.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.288 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD22 ' HG2' ' A' ' 74' ' ' PRO . 16.5 mt -75.46 -42.29 53.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' CG2' ' HG3' ' A' ' 107' ' ' PRO . 1.1 mp -56.47 -39.74 63.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -64.82 -29.48 70.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 13' ' ' GLU . 1.4 mt -85.49 -25.96 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 2.5 mtt180 -75.06 -1.18 21.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -74.92 -6.32 48.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptt -102.89 -25.89 13.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.967 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -125.42 -116.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.967 HD13 ' O ' ' A' ' 21' ' ' LYS . 1.4 mm -145.67 -149.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.701 ' H ' HG22 ' A' ' 22' ' ' ILE . 3.3 pt-20 -152.15 -173.47 4.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -125.76 155.91 19.24 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER 160.27 115.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.356 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -61.82 151.52 34.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.686 ' N ' HD12 ' A' ' 26' ' ' LEU . 2.9 t80 -75.53 90.95 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.88 -165.81 1.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -76.62 -52.97 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -38.02 72.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' NH2' HG12 ' A' ' 103' ' ' ILE . 4.9 mmm180 -65.65 -32.69 74.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -33.75 76.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.77 -36.12 83.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' HG21 ' A' ' 51' ' ' VAL . 45.5 mt -74.26 148.49 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' CB ' ' CD ' ' A' ' 36' ' ' PRO . 0.4 OUTLIER -147.15 175.42 2.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' CD ' ' CB ' ' A' ' 35' ' ' LYS . 18.3 Cg_endo -75.06 83.78 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.797 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.27 53.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.18 176.2 10.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 0.801 . . . . 0.0 109.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.671 HG22 ' HB2' ' A' ' 50' ' ' ARG . 87.3 t -136.13 150.17 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 mt -124.62 123.43 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 m -96.98 104.2 16.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.714 ' CD1' HD21 ' A' ' 7' ' ' LEU . 45.8 m-85 -79.54 144.1 34.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.752 ' HG3' HD11 ' A' ' 12' ' ' LEU . 1.7 mm-40 45.55 49.14 11.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.33 -61.17 4.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.89 29.26 0.12 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -39.58 54.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.971 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -140.11 119.0 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 10.7 mmtp -105.87 145.5 31.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 39' ' ' VAL . 28.3 m -146.98 155.91 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.671 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -133.41 126.99 32.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.495 HG21 ' CG2' ' A' ' 34' ' ' ILE . 18.8 t -59.65 133.22 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.79 -45.59 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.23 154.29 7.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.3 tt -102.88 149.12 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.81 ' O ' HG23 ' A' ' 101' ' ' VAL . 13.1 mmt180 -147.44 126.07 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.4 t -109.32 143.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.528 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 35.2 m-85 -128.82 179.55 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.19 -45.6 32.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.06 173.39 16.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.719 ' CD1' HG11 ' A' ' 100' ' ' VAL . 1.9 m-85 -64.65 -39.91 94.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.63 -35.51 68.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -73.49 -36.44 65.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.775 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.1 mtp -66.81 -49.53 65.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.617 HD21 ' OH ' ' A' ' 86' ' ' TYR . 27.0 mt -67.57 -29.89 69.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.5 mm-40 -75.74 -43.59 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.36 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.744 ' OE1' ' HB1' ' A' ' 102' ' ' ALA . 1.8 mt-10 -59.78 -53.1 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.568 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 128.04 120.82 2.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.89 ' CD1' HG11 ' A' ' 76' ' ' VAL . 13.0 tp -49.59 -60.61 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.42 -20.3 64.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -89.06 11.93 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.1 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 68' ' ' GLY . 75.4 t -137.2 -51.15 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.961 HD23 ' HB ' ' A' ' 76' ' ' VAL . 5.4 tp -121.58 95.5 48.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.561 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.97 115.24 4.23 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.49 -29.39 5.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.961 ' HB ' HD23 ' A' ' 73' ' ' LEU . 9.9 p -40.04 151.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -85.39 -39.06 18.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -167.08 166.11 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.541 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.7 mt -53.31 -38.33 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -49.87 69.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.93 -36.83 80.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.44 -47.3 69.88 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.513 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 3.2 mt -60.22 -38.29 76.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -61.23 -37.73 84.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.08 -40.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.677 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.3 m-30 -70.08 -31.24 68.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -33.23 62.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.07 -45.28 92.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -88.76 -54.27 4.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.75 ' HB3' HD23 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -94.02 147.05 23.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.21 149.99 38.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.576 1.172 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -30.91 60.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.51 -51.53 23.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.89 -44.39 86.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER -62.99 -53.14 58.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -16.7 63.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -71.74 -59.29 2.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -98.77 -54.71 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 129.31 -167.32 21.33 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.719 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.2 t -104.97 151.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 0.734 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.5 p -137.65 108.31 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.775 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -77.81 97.71 5.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.44 HG12 ' NH2' ' A' ' 31' ' ' ARG . 2.9 mt -84.03 133.5 29.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.619 ' HA ' HG23 ' A' ' 22' ' ' ILE . 52.3 tt0 -89.59 106.27 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.254 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.771 ' O ' HD12 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -99.38 153.5 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.573 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -145.3 100.55 4.46 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 18.1 Cg_endo -75.04 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -88.87 73.47 8.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -120.39 6.48 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.451 0.167 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 157.88 45.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' SER . 53.1 m95 -121.2 152.92 38.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.2 OUTLIER -141.22 163.85 31.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 41' ' ' SER . 4.1 mtm -159.57 -168.73 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.58 138.74 6.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -165.86 168.43 15.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 0.8 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -64.95 160.04 21.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.73 -46.58 81.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.322 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 3.5 mt-10 -54.36 -53.12 58.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.694 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -59.76 -33.34 71.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.772 HD21 ' HB3' ' A' ' 42' ' ' PHE . 0.4 OUTLIER -63.74 -41.08 98.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.1 pt-20 -70.64 -32.16 69.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 mt -52.54 -45.52 66.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 11' ' ' PHE . 3.5 mp -59.41 -45.39 93.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HE3' HD23 ' A' ' 47' ' ' LEU . 6.1 mttt -52.53 -34.51 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.41 -21.32 33.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' CD ' ' A' ' 23' ' ' GLU . 10.3 mtt180 -74.27 0.34 14.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -71.6 -11.96 61.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.45 2.37 7.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' O ' HG12 ' A' ' 22' ' ' ILE . 26.3 mttm -120.46 -115.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.065 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -168.14 173.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' HD12 ' A' ' 105' ' ' ILE . 59.4 tt0 -143.6 111.3 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.69 165.38 21.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' ' CG1' ' A' ' 101' ' ' VAL . 6.8 ttm180 176.09 120.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.3 OUTLIER -37.86 127.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' N ' HG12 ' A' ' 101' ' ' VAL . 4.5 t80 -65.41 106.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -160.97 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.54 -40.22 50.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.99 -39.41 90.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.737 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.5 mmp_? -66.18 -30.57 71.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.75 -35.93 81.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -26.2 60.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.737 HD12 ' HA ' ' A' ' 31' ' ' ARG . 76.5 mt -70.25 134.58 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -145.98 171.24 6.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 110.27 3.09 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.463 1.77 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.19 53.79 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.96 175.12 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 49' ' ' VAL . 16.7 t -134.43 139.36 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.419 ' HB ' HG22 ' A' ' 49' ' ' VAL . 8.0 mt -111.92 144.23 20.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 5' ' ' MET . 1.9 t -111.6 147.67 34.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.772 ' HB3' HD21 ' A' ' 12' ' ' LEU . 22.9 m-85 -128.66 131.19 48.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 12' ' ' LEU . 12.9 mm-40 58.57 36.86 25.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.16 -62.52 2.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.46 30.92 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.37 -33.8 61.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.603 ' HB3' HD23 ' A' ' 12' ' ' LEU . 1.3 tm? -151.92 122.22 7.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 1.1 mmtp -109.56 143.94 38.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.656 HG11 HG21 ' A' ' 15' ' ' ILE . 11.8 m -131.79 158.2 43.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -128.3 119.46 25.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.0 t -60.28 137.9 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.8 -43.73 4.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -166.6 176.42 7.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.406 HG13 HG22 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -124.11 145.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.848 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.8 mtp180 -143.56 142.58 31.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.56 142.45 43.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.525 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 21.5 m-85 -131.12 -176.49 4.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -75.72 -45.03 38.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.6 t -155.28 169.14 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.803 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.73 -37.4 84.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.515 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.56 -36.27 69.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.99 -37.85 66.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.668 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 3.9 mtp -69.67 -46.97 64.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.715 HD11 ' HE2' ' A' ' 86' ' ' TYR . 2.3 mt -68.96 -30.18 68.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.0 mm-40 -75.35 -43.33 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -64.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -59.53 -52.46 65.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.89 126.41 2.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.867 ' CD1' HG11 ' A' ' 76' ' ' VAL . 15.0 tp -58.29 -58.82 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.39 -13.24 60.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.73 HD22 ' N ' ' A' ' 71' ' ' ASN . 0.8 OUTLIER -95.33 11.61 32.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.065 HG22 HG22 ' A' ' 22' ' ' ILE . 54.6 t -140.27 -47.02 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.817 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -123.44 92.52 48.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 115.34 4.26 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 123.57 -32.28 4.33 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.867 HG11 ' CD1' ' A' ' 69' ' ' LEU . 7.8 p -39.07 149.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.757 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -84.9 -37.3 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.415 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.9 m -165.8 167.51 16.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 83' ' ' ILE . 28.3 mt -56.21 -38.48 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -46.26 83.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.54 -37.19 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -53.47 -51.03 50.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.548 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -54.76 -41.18 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -38.09 71.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.69 -53.75 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.715 ' HE2' HD11 ' A' ' 64' ' ' LEU . 21.6 m-85 -61.17 -20.39 62.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.51 -47.17 43.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -74.26 -26.19 60.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 0.7 OUTLIER -87.24 -55.15 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -109.01 138.65 45.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.008 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.26 145.91 52.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.1 -40.66 68.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -53.2 60.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -59.52 -40.81 88.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.591 ' HA ' HD13 ' A' ' 26' ' ' LEU . 8.8 tt0 -64.8 -53.15 51.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -15.25 62.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.06 -59.05 2.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -101.02 -54.93 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 127.62 -141.32 12.52 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.803 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.7 t -121.95 152.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.3 p -137.17 111.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.668 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -82.74 99.09 9.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.544 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -88.95 116.09 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.748 ' HG3' HD11 ' A' ' 22' ' ' ILE . 0.8 OUTLIER -76.0 112.91 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.719 HD12 ' HB3' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -117.95 161.89 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.644 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -143.77 103.77 4.91 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.655 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.98 106.11 2.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -97.69 78.25 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 110' ' ' TYR . 1.2 tp10 -132.0 11.71 4.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 109' ' ' GLU . 76.0 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' CD1' ' A' ' 3' ' ' TRP . 1.5 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.5 0.19 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -64.1 116.77 6.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 1' ' ' MET . 11.4 m95 -102.29 144.41 30.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -118.77 150.21 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.33 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.407 ' HB2' ' CD1' ' A' ' 42' ' ' PHE . 3.5 mtm -151.88 154.55 36.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -126.9 71.46 0.48 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.923 HD21 ' CG ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -75.72 -113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -163.13 160.09 23.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -52.4 -54.89 26.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.02 -41.97 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.756 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -75.1 -26.58 59.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.042 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.964 HD22 ' HB2' ' A' ' 47' ' ' LEU . 24.0 mt -65.68 -46.25 79.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -26.57 68.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 HD12 ' A' ' 17' ' ' LEU . 12.1 mt -64.12 -43.11 96.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG21 HG11 ' A' ' 49' ' ' VAL . 1.6 mp -56.58 -45.62 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -67.46 -24.8 65.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.548 HD12 HD23 ' A' ' 14' ' ' LEU . 29.7 mt -80.56 -49.01 11.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -76.11 3.35 10.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 0.4 OUTLIER -70.01 -29.68 66.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.94 9.05 37.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 1.0 OUTLIER -131.23 -105.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.038 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -165.17 -179.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.712 ' N ' HG23 ' A' ' 22' ' ' ILE . 1.4 pp20? -143.15 139.33 30.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.41 150.71 19.69 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' LEU . 5.8 tpt180 179.26 99.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD23 ' HB3' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -37.22 143.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.758 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.3 t80 -71.19 70.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.03 -179.23 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -62.54 -44.39 96.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.229 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -65.6 -48.74 71.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.2 tpt180 -57.01 -31.53 65.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.573 ' HG2' ' CE2' ' A' ' 27' ' ' TYR . 3.6 mtp180 -64.33 -39.88 94.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -75.42 -23.39 56.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 31' ' ' ARG . 88.4 mt -63.64 148.57 11.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.38 163.76 26.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 18.4 Cg_endo -74.95 92.52 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.94 -27.34 0.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.108 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.494 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 72.6 m-20 -71.18 -179.51 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.569 HG22 ' HB2' ' A' ' 50' ' ' ARG . 61.6 t -136.77 144.81 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 3' ' ' TRP . 3.2 mt -121.17 101.32 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -78.22 146.92 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.923 ' CG ' HD21 ' A' ' 7' ' ' LEU . 14.8 m-85 -129.19 136.65 50.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.843 ' HG3' HD11 ' A' ' 12' ' ' LEU . 4.7 mm-40 52.35 43.76 30.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.69 -63.74 3.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -170.65 28.23 0.11 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.537 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -76.68 -36.07 57.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 0.795 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.964 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -141.61 112.38 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.3 mmtp -109.76 135.32 50.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG12 ' HB3' ' A' ' 107' ' ' PRO . 6.4 m -136.73 146.44 28.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.569 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -127.48 125.86 41.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.624 HG13 ' CG2' ' A' ' 103' ' ' ILE . 17.1 t -52.75 145.96 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.24 -40.25 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.249 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -163.19 160.82 24.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.481 ' CD1' HG12 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -116.53 149.31 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -142.07 160.33 40.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG13 ' CG1' ' A' ' 101' ' ' VAL . 0.8 OUTLIER -135.02 139.47 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.539 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 24.0 m-85 -132.71 179.82 5.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -75.98 -46.28 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.76 168.64 25.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.99 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.726 ' CG ' ' CD2' ' A' ' 86' ' ' TYR . 2.4 m-85 -57.24 -37.74 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.627 ' HD3' HD11 ' A' ' 83' ' ' ILE . 6.2 tpp180 -55.68 -48.89 74.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.5 OUTLIER -62.35 -30.16 70.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.539 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 12.9 mtp -75.81 -47.79 24.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.548 HD22 ' HA ' ' A' ' 69' ' ' LEU . 53.4 mt -68.48 -35.33 77.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.28 -46.0 29.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 9.6 ttpp -78.77 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' MET . 1.4 tm-20 -60.72 -50.6 72.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 129.91 124.4 2.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.849 HD11 HG21 ' A' ' 76' ' ' VAL . 17.4 tp -55.73 -60.69 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -68.45 -14.34 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.475 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 4.6 m-20 -91.99 6.37 46.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.038 HG22 HG22 ' A' ' 22' ' ' ILE . 90.1 t -134.93 -46.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.016 HD23 ' HB ' ' A' ' 76' ' ' VAL . 3.8 tp -125.24 92.54 47.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.66 4.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.21 -28.88 5.91 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.016 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.2 p -39.92 149.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -85.41 -35.86 21.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.444 ' H ' HG22 ' A' ' 76' ' ' VAL . 2.5 m -167.81 165.71 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.694 HG12 HD22 ' A' ' 69' ' ' LEU . 1.3 mm -52.99 -40.78 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -43.72 93.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.24 -38.84 92.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.44 -50.68 58.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.627 HD11 ' HD3' ' A' ' 61' ' ' ARG . 6.4 mt -56.19 -38.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -60.55 -43.74 96.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.8 -36.19 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.726 ' CD2' ' CG ' ' A' ' 60' ' ' PHE . 7.7 m-30 -74.74 -26.46 59.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -39.77 59.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -61.1 -47.44 86.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.3 -54.24 5.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -99.78 149.15 23.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 111.039 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.458 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -71.84 150.78 43.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -34.55 61.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -51.48 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' CE ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.86 -41.86 71.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.5 tm-20 -64.93 -52.28 57.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -64.3 -14.44 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 -56.03 5.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -98.77 -55.1 2.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.71 -141.37 12.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.7 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.3 t -131.39 155.28 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.758 HG21 ' HD1' ' A' ' 27' ' ' TYR . 3.0 m -136.92 106.78 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.49 98.01 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.624 ' CG2' HG13 ' A' ' 51' ' ' VAL . 2.1 mt -95.06 122.74 46.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 44.2 tt0 -82.37 106.74 14.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.539 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -99.2 159.8 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.591 ' O ' HD13 ' A' ' 108' ' ' LEU . 3.7 pt-20 -144.54 109.19 4.85 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.83 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.98 119.61 5.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.689 HD13 ' N ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -101.51 58.39 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -117.69 -142.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' N ' ' OD2' ' A' ' 38' ' ' ASP . 4.4 ptt? . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.488 0.185 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -64.02 108.32 1.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.436 ' CD1' ' O ' ' A' ' 1' ' ' MET . 12.8 m95 -91.99 149.05 21.74 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -130.76 125.24 33.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.242 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.2 mtt -127.74 -170.2 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.736 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -151.47 150.56 22.5 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.026 HD21 ' CD1' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -174.73 161.09 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -50.59 138.85 17.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -52.82 -36.49 58.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.72 -34.39 75.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.729 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -73.55 -38.82 65.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.981 HD23 ' HB2' ' A' ' 47' ' ' LEU . 5.0 mp -53.91 -42.73 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -68.1 -34.29 76.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.265 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.9 mt -60.89 -31.06 70.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.5 mp -63.19 -47.79 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.913 ' HE2' HD21 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -66.71 -22.37 66.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 mt -85.37 -47.56 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.503 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -77.22 3.27 13.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.2 pttm -70.1 -30.21 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.84 8.51 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 7.8 mttp -132.44 -104.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.033 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -162.99 179.58 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.283 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.709 ' N ' HG23 ' A' ' 22' ' ' ILE . 38.9 tt0 -143.58 112.05 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 72' ' ' VAL . . . -89.68 152.27 22.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER 179.38 108.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -36.94 132.6 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.742 ' HD1' HG21 ' A' ' 101' ' ' VAL . 0.7 OUTLIER -65.86 163.76 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -168.43 -177.32 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.89 -50.35 73.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -57.88 -47.15 83.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.766 ' HA ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -61.21 -42.39 98.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -41.25 60.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -69.68 -25.78 64.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.345 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 31' ' ' ARG . 70.1 mt -74.74 125.54 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 166.73 24.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.95 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.515 1.797 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.84 49.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' OD2' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -164.15 -170.78 2.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 39.2 t -139.01 145.4 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mt -123.84 115.22 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.473 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 57.9 p -87.53 135.45 33.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.026 ' CD1' HD21 ' A' ' 7' ' ' LEU . 8.4 m-85 -112.15 120.01 40.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 7' ' ' LEU . 16.4 mm-40 68.49 44.22 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.12 -63.91 3.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.79 28.87 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.551 ' HD2' HD22 ' A' ' 12' ' ' LEU . 4.2 tmtm? -76.61 -39.78 51.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.981 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.09 112.57 9.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 5.6 mmtp -105.01 131.01 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' HB3' ' A' ' 107' ' ' PRO . 3.4 m -129.12 157.32 41.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -130.6 116.08 17.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.404 HG21 ' CG2' ' A' ' 34' ' ' ILE . 90.1 t -48.58 134.91 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -44.36 5.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.81 172.31 9.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.786 HG13 HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -126.07 149.89 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 1.0 OUTLIER -150.63 154.02 36.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.862 HG22 HG12 ' A' ' 101' ' ' VAL . 45.0 t -130.8 145.72 35.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.541 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 26.4 m-85 -133.08 -178.26 4.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -46.29 29.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.09 167.87 29.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.825 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -61.66 -36.75 81.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -36.82 73.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.243 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -71.46 -32.46 68.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.551 ' O ' ' N ' ' A' ' 67' ' ' GLU . 2.3 mtp -74.97 -50.22 17.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.535 HD22 HD12 ' A' ' 69' ' ' LEU . 1.2 mt -60.47 -31.59 70.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -77.26 -47.4 20.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.88 -67.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 63' ' ' MET . 65.6 mm-40 -58.27 -42.66 86.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.651 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 116.97 122.65 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.031 HD11 HG11 ' A' ' 76' ' ' VAL . 10.9 tp -52.72 -60.31 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -67.2 -11.74 58.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.493 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 30.6 m-20 -95.64 5.96 50.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.033 HG22 HG22 ' A' ' 22' ' ' ILE . 59.2 t -136.19 -52.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.99 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.3 tp -118.73 89.32 37.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 125.52 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.42 -35.7 4.12 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.989 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.031 HG11 HD11 ' A' ' 69' ' ' LEU . 5.4 p -38.6 152.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -85.36 -35.33 21.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.1 m -166.73 164.68 16.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.042 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.645 ' O ' HD12 ' A' ' 83' ' ' ILE . 28.9 mt -52.74 -37.05 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -47.6 75.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.73 -36.91 85.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.583 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -53.84 -49.68 57.46 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.101 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.645 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.2 mp -55.74 -40.11 59.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.05 -40.57 77.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.487 HG11 HD11 ' A' ' 73' ' ' LEU . 1.7 t -60.81 -40.59 85.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.795 ' CE2' ' CD1' ' A' ' 60' ' ' PHE . 19.1 m-85 -74.94 -20.64 59.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.42 -46.45 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 89' ' ' PHE . 8.6 ptp180 -69.92 -33.8 72.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 90' ' ' TYR . 2.4 m-85 -82.49 -55.05 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -105.5 143.26 33.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -63.8 145.11 56.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -35.13 77.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.07 -53.33 9.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' CD ' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -54.74 -43.67 72.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.575 ' HA ' HD13 ' A' ' 26' ' ' LEU . 1.2 tm-20 -63.24 -52.51 61.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.19 -19.55 66.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 93' ' ' GLU . 23.6 ttmt -67.82 -58.28 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -96.11 -55.58 2.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 126.78 -139.5 11.31 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.825 HG21 ' N ' ' A' ' 60' ' ' PHE . 3.0 t -128.31 154.44 39.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.862 HG12 HG22 ' A' ' 56' ' ' VAL . 30.1 m -137.34 106.63 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.494 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -80.45 98.57 7.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.786 HG22 HG13 ' A' ' 54' ' ' ILE . 6.1 pt -96.19 138.65 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' HA ' HD13 ' A' ' 22' ' ' ILE . 3.4 tt0 -95.49 122.58 38.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.788 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.3 OUTLIER -111.87 176.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.429 ' O ' HD23 ' A' ' 108' ' ' LEU . 3.3 tp10 -160.78 102.62 1.3 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.521 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -75.03 102.5 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER -100.58 54.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.0 -11.61 10.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.52 0.2 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.94 143.95 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -113.8 155.95 24.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 107.971 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.09 128.76 21.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 7.3 mtt -130.84 176.44 8.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.53 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -142.18 137.02 7.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.067 HD21 ' CD2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -166.13 157.39 13.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 0.792 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -45.26 144.0 1.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -57.76 -37.79 74.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.7 -45.33 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.829 ' HB3' HD12 ' A' ' 7' ' ' LEU . 2.0 m-85 -62.52 -45.1 94.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.824 HD23 ' HB2' ' A' ' 47' ' ' LEU . 7.5 mp -50.61 -47.56 58.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' O ' HD12 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 10.5 mt -70.68 -31.79 68.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.521 ' HA ' ' CG ' ' A' ' 18' ' ' ARG . 1.6 mp -62.35 -41.99 93.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -67.0 -42.95 84.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -69.56 -48.12 61.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' CG ' ' HA ' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -76.59 4.31 9.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.531 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 1.6 pttt -69.3 -28.31 66.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.68 9.02 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 2.8 mttm -129.76 -101.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.778 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -163.22 176.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.681 ' N ' HG23 ' A' ' 22' ' ' ILE . 13.8 tt0 -142.38 76.12 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 25' ' ' ARG . . . -51.75 172.23 0.27 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.2 OUTLIER 159.43 117.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -39.19 135.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.7 t80 -74.7 107.82 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -102.52 -169.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -68.9 -43.27 75.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -45.73 89.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -63.37 -31.47 72.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 27' ' ' TYR . 10.2 mtp180 -63.27 -40.83 98.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -22.83 63.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.5 ' CG2' HG21 ' A' ' 51' ' ' VAL . 23.8 mt -70.6 141.18 17.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.43 171.97 5.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 92.93 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.33 55.99 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -162.3 177.84 9.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 49' ' ' VAL . 50.7 t -136.31 150.45 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CG2' ' HG3' ' A' ' 5' ' ' MET . 5.2 mt -127.43 132.4 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -104.24 124.75 49.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 1.067 ' CD2' HD21 ' A' ' 7' ' ' LEU . 5.0 m-85 -101.24 126.08 47.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 64.84 41.34 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.274 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.74 -62.45 1.95 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -171.21 28.93 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.561 ' HD2' HD22 ' A' ' 12' ' ' LEU . 5.8 tmtm? -76.72 -39.42 51.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.824 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -130.5 117.16 19.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 6.6 mmtp -111.01 112.11 23.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.7 HG12 ' HB3' ' A' ' 107' ' ' PRO . 18.4 m -114.43 152.41 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HB2' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -126.91 114.19 17.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 34' ' ' ILE . 72.4 t -50.01 130.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.13 -43.52 5.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -162.27 167.01 24.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.67 149.32 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -151.81 144.97 24.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.758 HG13 HG12 ' A' ' 101' ' ' VAL . 3.0 t -125.27 141.81 44.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.485 ' CG ' ' CG ' ' A' ' 63' ' ' MET . 24.9 m-85 -125.34 178.15 5.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -75.33 -45.6 38.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -158.9 158.56 33.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.809 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -52.6 -32.3 40.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -40.74 93.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.61 -28.02 63.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.972 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -75.43 -47.1 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.6 OUTLIER -67.65 -33.98 76.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -76.23 -47.91 22.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -78.59 -65.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.9 OUTLIER -56.85 -49.62 74.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.66 125.65 2.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.837 HD11 HG11 ' A' ' 76' ' ' VAL . 56.7 tp -53.59 -60.7 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -68.52 -11.96 60.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.473 ' CA ' ' HB3' ' A' ' 21' ' ' LYS . 7.7 m-80 -95.26 18.94 11.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 22' ' ' ILE . 55.7 t -146.8 -55.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.865 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -122.4 94.4 47.82 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 123.21 7.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 116.54 -31.22 6.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.865 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.5 p -38.93 150.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.435 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.0 mtmm -84.92 -37.82 20.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.0 m -166.95 169.95 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.567 ' O ' HD12 ' A' ' 83' ' ' ILE . 3.1 mm -54.4 -39.09 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -49.53 75.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.97 -38.31 90.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -53.2 -49.68 55.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.567 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.5 mt -58.88 -42.5 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -56.04 -38.02 70.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.568 HG11 HD11 ' A' ' 73' ' ' LEU . 2.1 t -63.01 -40.97 91.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.749 ' OH ' HD21 ' A' ' 64' ' ' LEU . 14.9 m-85 -75.28 -24.38 57.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' CD ' ' HB2' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -74.73 -43.03 57.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -63.66 -42.84 98.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.56 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 11.6 m-85 -82.53 -55.1 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -103.02 143.57 32.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.8 148.31 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HB2' ' CD ' ' A' ' 87' ' ' ARG . 0.3 OUTLIER -74.23 -28.94 61.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -52.95 18.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -40.02 83.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.7 OUTLIER -62.1 -53.41 55.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.48 -15.74 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -59.07 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -100.45 -54.56 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 125.14 -159.73 19.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.108 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.794 HG21 ' N ' ' A' ' 60' ' ' PHE . 1.7 t -113.77 153.54 15.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.758 HG12 HG13 ' A' ' 56' ' ' VAL . 31.4 m -137.46 114.64 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.972 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -87.8 98.67 11.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.553 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -95.94 127.68 47.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.15 108.83 17.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.629 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -101.82 163.13 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.675 ' O ' HD23 ' A' ' 108' ' ' LEU . 1.4 tp10 -143.06 100.94 5.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.248 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.7 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 101.68 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.792 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 106' ' ' GLU . 0.2 OUTLIER -90.91 61.51 4.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -112.57 -27.36 8.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.244 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.112 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpp . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.506 0.193 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -117.75 158.03 25.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -141.03 139.98 34.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -127.58 138.55 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.495 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 24.0 mtt -150.17 111.9 4.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.668 ' C ' HD23 ' A' ' 7' ' ' LEU . . . -79.69 156.67 40.91 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.997 HD12 ' HB3' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -170.48 -179.12 2.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 0.751 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.14 157.77 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.37 -39.3 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.14 -46.02 89.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.997 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -63.34 -29.1 70.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.002 HD22 ' HB2' ' A' ' 47' ' ' LEU . 79.8 mt -67.48 -51.08 55.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.99 -32.43 70.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.87 -45.67 93.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG21 HG11 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -56.39 -38.83 57.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' CE ' HD21 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -62.12 -28.35 69.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.9 -22.34 27.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' CB ' HD11 ' A' ' 105' ' ' ILE . 3.3 mtt-85 -77.73 1.45 20.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -72.35 -11.67 60.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -127.29 3.71 6.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 71' ' ' ASN . 35.1 mmtt -116.67 -113.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.036 HG22 HG22 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -167.16 173.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.626 ' N ' HG23 ' A' ' 22' ' ' ILE . 5.1 tt0 -144.15 125.45 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.51 165.82 22.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' LEU . 6.2 ptm85 176.74 137.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.656 ' C ' HD12 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -37.46 111.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' ' HB ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -50.85 115.16 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -107.99 -175.94 2.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.08 -39.91 75.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -42.98 99.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 2.3 tpp180 -58.76 -43.21 90.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' HG2' ' CE1' ' A' ' 27' ' ' TYR . 1.8 mtt180 -54.25 -40.87 68.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.9 -25.27 61.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CG2' HG21 ' A' ' 51' ' ' VAL . 96.5 mt -74.76 141.14 16.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.24 162.59 55.59 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 98.86 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.08 -26.97 0.71 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.522 1.138 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.463 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 1.2 m-20 -75.6 -176.24 3.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 50' ' ' ARG . 96.5 t -136.75 145.82 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 51' ' ' VAL . 1.4 mp -124.17 117.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.453 ' CB ' ' HD3' ' A' ' 48' ' ' LYS . 46.8 t -94.2 136.02 34.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.689 ' HB3' HD21 ' A' ' 12' ' ' LEU . 16.0 m-30 -112.62 131.24 55.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' OE2' ' CA ' ' A' ' 6' ' ' GLY . 24.2 mm-40 58.22 49.67 10.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.07 -60.24 4.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -172.72 30.67 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HD2' HD13 ' A' ' 12' ' ' LEU . 3.4 tmtm? -76.03 -40.19 54.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.002 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -137.19 115.98 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 107' ' ' PRO . 8.3 mmtp -109.46 126.65 53.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.76 HG12 ' HB3' ' A' ' 107' ' ' PRO . 18.5 m -131.61 152.03 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.721 ' HB2' HG22 ' A' ' 39' ' ' VAL . 3.6 tmm_? -130.78 127.5 38.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.526 HG21 ' CG2' ' A' ' 34' ' ' ILE . 41.1 t -59.67 144.27 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 -41.44 3.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.22 152.23 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.496 ' CG1' HG22 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -105.12 150.08 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 87.7 mtt180 -154.35 136.08 14.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 101' ' ' VAL . 41.4 t -116.04 147.59 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.544 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 41.2 m-85 -132.92 179.34 6.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -76.48 -45.48 30.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -154.65 171.14 19.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.765 ' N ' HG21 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -62.77 -37.99 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -56.74 -43.62 80.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -63.2 -33.62 75.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.612 ' SD ' ' HB2' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -75.29 -47.75 26.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.897 HD22 HD12 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -71.07 -32.26 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 3.8 mm-40 -76.37 -45.27 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt -82.94 -64.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 63' ' ' MET . 0.5 OUTLIER -59.89 -53.52 56.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 132.57 129.59 3.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.897 HD12 HD22 ' A' ' 64' ' ' LEU . 8.5 tp -63.12 -59.3 4.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -66.58 -11.99 55.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.3 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.563 HD22 ' N ' ' A' ' 71' ' ' ASN . 1.5 m-80 -96.08 6.84 47.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.036 HG22 HG22 ' A' ' 22' ' ' ILE . 71.4 t -137.51 -51.77 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.956 HD23 ' HB ' ' A' ' 76' ' ' VAL . 1.0 OUTLIER -116.78 83.66 14.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 115.47 4.29 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.79 -35.9 2.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.956 ' HB ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -43.39 157.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.3 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.4 mtpt -85.52 -31.64 22.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t -176.81 171.88 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.6 mt -55.46 -33.43 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -52.15 56.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -62.49 -31.25 71.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.447 ' CA ' HG21 ' A' ' 76' ' ' VAL . . . -60.22 -45.59 95.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.566 ' HA ' ' CD2' ' A' ' 86' ' ' TYR . 1.6 mt -61.94 -27.85 43.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 0.754 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.04 -37.49 72.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.4 t -65.28 -34.38 70.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 2.5 m-30 -77.6 -14.48 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -75.69 -50.27 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 85' ' ' VAL . 2.2 ptm180 -67.1 -34.24 77.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 90' ' ' TYR . 3.6 m-85 -87.48 -55.41 3.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -116.26 -161.7 0.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 0.6 OUTLIER -153.25 174.31 14.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -76.44 -35.39 58.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -54.95 11.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' HD2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.55 -47.59 73.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.566 ' CD ' HG22 ' A' ' 100' ' ' VAL . 5.5 tt0 -65.43 -51.21 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -56.82 -18.42 12.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -72.49 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -102.24 -55.55 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 122.09 -179.37 16.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.765 HG21 ' N ' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -98.74 122.24 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.564 ' HB ' ' CD2' ' A' ' 27' ' ' TYR . 10.1 p -105.08 107.46 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.612 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -83.82 98.43 9.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.496 HG22 ' CG1' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -96.8 134.54 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' A' ' 22' ' ' ILE . 2.9 tt0 -84.68 106.25 16.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.979 ' O ' HD12 ' A' ' 105' ' ' ILE . 2.2 pp -94.5 142.54 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -133.12 99.69 14.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.76 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.0 108.04 2.63 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.69 71.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -149.52 20.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' GLU . 7.8 p90 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.501 0.191 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -139.91 151.68 45.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -124.18 134.98 53.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 107.999 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.19 150.98 49.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.428 ' HE1' HG21 ' A' ' 40' ' ' ILE . 6.5 mtm -153.68 -178.93 7.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.55 147.42 17.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.622 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.4 pt? -172.57 171.91 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -58.93 162.29 4.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 12' ' ' LEU . 2.4 tt0 -65.54 -42.13 92.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -62.74 -36.3 82.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -71.38 -27.78 63.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.893 HD13 ' HG2' ' A' ' 46' ' ' LYS . 2.2 mt -64.35 -43.93 93.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.28 -30.2 65.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 5.9 mt -52.6 -33.98 48.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.689 HG21 HG11 ' A' ' 49' ' ' VAL . 1.8 mp -65.8 -46.61 88.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -25.67 66.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.01 -46.97 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HD2' HD11 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -76.98 4.25 10.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HB2' ' CD ' ' A' ' 107' ' ' PRO . 15.8 pttp -68.89 -29.56 67.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -85.66 5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' ' CA ' ' A' ' 71' ' ' ASN . 8.4 mttt -126.78 -107.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.831 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -163.65 179.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.711 ' N ' HG23 ' A' ' 22' ' ' ILE . 46.7 tt0 -143.15 116.7 9.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.63 154.71 21.41 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 178.88 115.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.789 . . . . 0.0 110.302 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -37.23 133.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.63 ' HD1' HG21 ' A' ' 101' ' ' VAL . 1.1 t80 -65.74 77.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.25 -165.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 2.1 mt-10 -75.23 -51.79 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -36.13 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NH1' HD11 ' A' ' 103' ' ' ILE . 3.0 mmt180 -61.14 -49.78 75.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HA ' ' CE1' ' A' ' 27' ' ' TYR . 8.1 ptp180 -64.68 -24.13 67.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 0.5 OUTLIER -74.44 -31.33 62.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.724 ' CG2' HG21 ' A' ' 51' ' ' VAL . 90.0 mt -74.94 124.31 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -119.01 165.84 15.89 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.2 Cg_endo -74.98 79.35 2.68 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.435 1.755 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.23 49.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.21 -171.19 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.649 HG22 ' HB2' ' A' ' 50' ' ' ARG . 76.4 t -137.01 146.99 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.458 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.4 mt -119.14 148.92 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 44' ' ' GLY . 33.1 t -125.98 147.38 49.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.703 ' HB3' HD21 ' A' ' 12' ' ' LEU . 58.3 m-85 -126.29 136.53 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.821 ' HG3' HD11 ' A' ' 12' ' ' LEU . 7.3 mm-40 61.69 17.83 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.422 ' O ' ' OG ' ' A' ' 41' ' ' SER . . . 102.86 -55.75 0.65 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -164.28 27.18 0.2 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.893 ' HG2' HD13 ' A' ' 12' ' ' LEU . 16.3 tptt -71.67 -45.07 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 107' ' ' PRO . 1.4 tm? -149.19 119.16 7.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 mmtm -102.92 143.45 32.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.689 HG11 HG21 ' A' ' 15' ' ' ILE . 34.5 m -137.45 169.79 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.249 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.649 ' HB2' HG22 ' A' ' 39' ' ' VAL . 7.1 ttp85 -144.25 125.48 14.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.724 HG21 ' CG2' ' A' ' 34' ' ' ILE . 60.4 t -60.07 143.13 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.7 -42.02 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -164.45 162.88 22.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.734 HG13 HG22 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -121.16 148.23 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -150.03 147.5 27.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.28 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.783 HG13 ' CG1' ' A' ' 101' ' ' VAL . 2.1 t -123.37 146.5 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CG ' ' HG3' ' A' ' 63' ' ' MET . 49.7 m-85 -132.36 -178.97 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -76.11 -46.49 28.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.82 169.46 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.805 ' CD2' ' CD2' ' A' ' 86' ' ' TYR . 0.7 OUTLIER -58.95 -36.26 74.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 0.3 OUTLIER -55.9 -44.55 78.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -64.56 -33.69 76.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.557 ' HG3' ' CG ' ' A' ' 57' ' ' TYR . 4.5 mtp -75.7 -47.34 26.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD22 ' HA ' ' A' ' 69' ' ' LEU . 19.0 mt -69.52 -31.17 69.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 4.1 mm-40 -76.19 -49.35 17.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -80.69 -64.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 63' ' ' MET . 3.9 tp10 -58.65 -50.75 72.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.67 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 126.6 127.71 3.08 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.035 HD11 HG21 ' A' ' 76' ' ' VAL . 16.8 tp -57.53 -60.02 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.23 -16.0 64.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.336 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.743 HD22 ' N ' ' A' ' 71' ' ' ASN . 0.8 OUTLIER -91.94 13.04 19.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.831 HG22 HG22 ' A' ' 22' ' ' ILE . 87.9 t -138.07 -50.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.927 HD23 ' HB ' ' A' ' 76' ' ' VAL . 3.5 tp -124.48 98.86 37.13 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 120.87 6.26 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 114.55 -27.53 8.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.035 HG21 HD11 ' A' ' 69' ' ' LEU . 10.0 p -38.37 148.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -83.24 -37.3 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.425 ' H ' HG22 ' A' ' 76' ' ' VAL . 14.4 t -170.86 172.94 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.99 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.552 ' O ' HD12 ' A' ' 83' ' ' ILE . 33.5 mt -58.38 -38.62 70.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -45.09 84.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -38.92 92.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.76 -44.8 60.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.552 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.8 mt -62.96 -33.57 61.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -68.27 -38.81 82.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.2 t -64.07 -40.9 90.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.355 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.805 ' CD2' ' CD2' ' A' ' 60' ' ' PHE . 6.8 m-30 -70.37 -33.25 71.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -34.63 65.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.4 mtm-85 -61.69 -45.5 93.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -89.89 -54.42 4.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -91.14 146.98 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.89 141.92 46.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.58 -34.79 76.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -53.91 27.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -45.38 84.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 99' ' ' GLY . 1.7 tt0 -57.22 -52.31 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -65.42 -15.29 62.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -58.82 3.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -97.52 -55.2 2.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 120.9 -150.22 17.29 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.752 HG21 ' N ' ' A' ' 60' ' ' PHE . 2.0 t -115.55 156.49 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.783 ' CG1' HG13 ' A' ' 56' ' ' VAL . 7.3 m -137.6 107.68 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.508 ' HB2' ' SD ' ' A' ' 63' ' ' MET . . . -79.49 98.13 6.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.734 HG22 HG13 ' A' ' 54' ' ' ILE . 15.9 pt -101.33 133.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 7.0 tt0 -92.67 114.03 26.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.783 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -104.18 170.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.694 ' O ' HD13 ' A' ' 108' ' ' LEU . 3.2 tm-20 -144.58 103.44 4.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.667 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.01 102.36 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.526 1.803 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.694 HD13 ' O ' ' A' ' 106' ' ' GLU . 0.0 OUTLIER -84.3 60.6 6.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -143.06 16.87 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 109' ' ' GLU . 3.0 p90 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.471 0.177 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -127.39 156.46 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -140.22 147.09 39.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 107.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HG3' ' CB ' ' A' ' 41' ' ' SER . 2.7 tt0 -132.32 169.49 16.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 41' ' ' SER . 24.8 mmt -152.24 175.47 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.001 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.05 128.41 3.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.003 HD12 ' HB3' ' A' ' 11' ' ' PHE . 1.1 pt? -164.07 177.97 8.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.29 166.74 23.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 12' ' ' LEU . 1.5 tt0 -73.0 -40.41 65.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.33 -35.38 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 1.003 ' HB3' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -74.91 -27.24 60.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.882 HD22 ' CB ' ' A' ' 47' ' ' LEU . 20.1 mt -62.85 -43.56 98.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.17 -35.98 70.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 ' HG2' ' A' ' 74' ' ' PRO . 21.9 mt -55.73 -46.05 77.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.609 HG22 ' HG3' ' A' ' 107' ' ' PRO . 3.7 mp -58.66 -43.47 87.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mtmt -56.48 -31.03 63.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.83 -23.89 26.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 23' ' ' GLU . 4.2 mtt180 -74.91 1.37 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' CB ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -72.37 -27.73 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 mttt -109.78 -1.5 17.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 71' ' ' ASN . 16.5 mttt -116.67 -116.0 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.087 HG22 HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -168.71 178.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.693 ' N ' HG23 ' A' ' 22' ' ' ILE . 8.1 pt-20 -144.67 129.28 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.06 159.39 20.09 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 103' ' ' ILE . 0.6 OUTLIER 169.67 117.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.278 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -39.87 144.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' N ' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -75.24 127.27 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -116.68 178.96 4.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.38 -34.89 73.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.65 -44.24 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' A' ' 34' ' ' ILE . 2.0 mmt180 -58.06 -41.85 84.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -50.79 -39.7 53.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -75.37 -29.39 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 31' ' ' ARG . 70.9 mt -69.39 150.28 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -146.22 163.12 31.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 35' ' ' LYS . 18.4 Cg_endo -74.95 95.44 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.46 1.768 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.59 -28.6 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -75.54 -172.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.288 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 49' ' ' VAL . 96.5 t -135.87 140.02 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.7 mt -116.89 116.39 52.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.489 ' CB ' ' HG3' ' A' ' 4' ' ' GLU . 4.7 t -84.3 145.69 28.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.947 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.812 ' HB3' HD21 ' A' ' 12' ' ' LEU . 5.1 m-85 -125.17 131.4 53.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 58.61 43.4 19.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 88.71 -61.45 3.81 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -175.54 28.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.688 ' HD2' HD13 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -77.77 -39.45 44.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.882 ' CB ' HD22 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -132.61 116.39 16.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -106.56 138.65 42.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.809 HG12 ' HB3' ' A' ' 107' ' ' PRO . 1.8 m -139.94 161.26 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.611 ' HB2' HG22 ' A' ' 39' ' ' VAL . 21.0 ttt180 -137.1 118.06 14.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.245 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 36' ' ' PRO . 39.5 t -48.46 145.17 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -41.66 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.28 155.68 8.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -108.28 144.6 16.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.844 ' O ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -145.1 147.0 32.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.1 t -122.66 145.73 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.77 ' CE1' ' HB3' ' A' ' 102' ' ' ALA . 16.1 m-85 -132.49 179.6 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.49 -46.36 27.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.439 ' HA ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -159.16 -175.6 5.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.602 ' CD1' HG11 ' A' ' 100' ' ' VAL . 24.0 m-85 -70.23 -40.14 74.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.04 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HD3' HG22 ' A' ' 79' ' ' ILE . 10.5 tpp85 -55.6 -45.32 77.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -66.67 -41.39 88.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.263 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.715 ' CE ' ' HB2' ' A' ' 102' ' ' ALA . 13.3 mtp -61.37 -50.91 71.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.502 HD12 ' O ' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -65.29 -30.73 71.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -83.49 -67.27 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 63' ' ' MET . 3.6 mm-40 -61.4 -54.66 40.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.597 ' O ' HG23 ' A' ' 72' ' ' VAL . . . 131.41 127.34 2.85 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.887 ' CD1' HG11 ' A' ' 76' ' ' VAL . 37.5 tp -51.79 -61.6 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -68.76 -12.48 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 36.8 m-20 -94.89 8.5 42.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.087 HG22 HG22 ' A' ' 22' ' ' ILE . 88.3 t -137.66 -49.42 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.44 1.087 . . . . 0.0 109.269 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.976 HD23 ' HB ' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -125.88 94.87 41.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' HG2' HD22 ' A' ' 14' ' ' LEU . 18.3 Cg_endo -74.97 127.94 11.11 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.505 1.792 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' VAL . . . 110.07 -31.2 7.65 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.976 ' HB ' HD23 ' A' ' 73' ' ' LEU . 7.2 p -38.3 152.18 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -86.0 -35.7 20.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 76' ' ' VAL . 4.7 m -168.83 168.67 10.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.559 HG22 ' HD3' ' A' ' 61' ' ' ARG . 27.4 mt -55.74 -40.35 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.54 79.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -61.34 -39.51 90.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -52.84 -44.69 61.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.551 HD12 ' O ' ' A' ' 79' ' ' ILE . 1.8 mt -60.79 -41.96 90.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -55.12 -36.9 66.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.3 t -65.19 -48.01 85.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.683 ' CE1' HD13 ' A' ' 73' ' ' LEU . 12.7 m-85 -67.66 -22.17 65.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -47.69 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 88' ' ' ARG . 2.6 ptm85 -69.61 -35.33 75.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' ARG . 3.0 m-85 -76.1 -55.53 5.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -111.08 153.27 25.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.63 148.21 46.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.11 -37.39 61.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.58 -54.28 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -36.2 76.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.564 ' OE2' ' CZ ' ' A' ' 60' ' ' PHE . 9.6 tp10 -65.2 -54.04 35.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -15.68 62.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.68 -59.01 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -98.04 -53.26 3.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . . . 128.62 -124.77 4.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.602 HG11 ' CD1' ' A' ' 60' ' ' PHE . 2.3 t -144.96 150.66 15.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 55' ' ' ARG . 2.8 p -136.33 107.45 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.77 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . . . -83.51 97.97 9.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.557 HG13 HG22 ' A' ' 101' ' ' VAL . 2.8 mt -89.95 125.72 42.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.29 106.68 15.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.565 ' H ' HD13 ' A' ' 105' ' ' ILE . 0.2 OUTLIER -99.8 162.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -138.17 93.49 11.62 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.809 ' HB3' HG12 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.01 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.44 88.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' TYR . 2.2 tp10 -162.24 -141.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLU . 1.2 t80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 stop_ save_