data_1itp_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 1itp _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.474 ' CB ' HG22 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.18 -168.13 20.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 11.3 ttpt -99.4 146.94 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.3 m-85 -132.49 168.33 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -140.47 108.13 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.56 159.72 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -137.44 152.74 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.501 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 59.3 m-85 -113.65 139.96 48.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -49.02 177.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.54 34.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 38.1 t0 -124.88 -41.91 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.17 153.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.86 168.08 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -56.19 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.83 -33.17 68.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.64 -46.4 89.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.64 -58.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.8 mtp180 -56.25 -30.55 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.11 -67.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -42.62 -46.59 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HD2' ' CD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.76 -47.43 83.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.62 -39.4 91.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.22 -34.31 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -78.94 -37.43 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 ' N ' HG11 ' A' ' 26' ' ' VAL . 2.2 mm -59.55 -50.37 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.88 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -53.3 -70.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -163.98 -68.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.56 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.1 -177.78 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 110.386 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.502 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 5.7 mm -132.45 131.96 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -114.02 -29.32 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ALA . 5.0 t-20 -151.77 161.96 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.38 99.64 5.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -106.2 70.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.87 161.5 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 104.49 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.33 60.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.9 ttm -123.07 117.14 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . 15.9 mtmm -121.15 92.72 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.23 -172.95 13.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 8' ' ' VAL . 29.5 p90 -164.98 161.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 35' ' ' ASN . . . -131.58 142.84 49.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.79 -149.04 8.34 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.2 mt-10 -102.08 130.72 48.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 7.7 mp -135.09 -169.2 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.532 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.27 -175.52 0.52 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.03 -29.11 8.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.576 1.829 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -61.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -37.48 46.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.617 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 mp -53.05 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m -37.12 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.04 -71.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.24 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 6.3 p90 -90.71 16.75 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -91.5 -38.88 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.62 -42.57 7.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -70.43 -7.14 40.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.421 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -43.22 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.8 -41.93 3.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.83 23.73 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 60' ' ' LEU . 3.4 tp -160.13 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 68' ' ' ILE . 1.5 mt -93.9 126.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -83.28 -40.43 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 m -147.34 138.67 23.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' CD1' HD13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -125.09 132.38 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -137.32 102.66 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.446 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -87.22 134.14 33.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -127.48 15.66 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.49 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 -165.57 13.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -98.91 155.7 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 18.9 m-85 -138.08 166.32 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.35 93.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -103.0 160.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -139.4 150.58 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.497 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 48.3 m-85 -108.99 145.02 36.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.2 ptmt -51.34 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -96.61 35.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.72 -45.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.64 150.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 p -91.07 165.05 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -47.09 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.2 -38.94 93.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.93 91.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.67 -58.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 84.4 mtt-85 -57.36 -30.55 64.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.62 -66.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -38.76 -40.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -63.73 -55.6 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.99 -42.35 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.19 -38.55 58.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.46 -42.13 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.436 HD12 ' CG1' ' A' ' 33' ' ' ILE . 6.2 mm -50.27 -52.17 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.16 -58.21 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.2 tp10 -38.62 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -165.84 -67.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.34 164.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.31 179.48 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 19.8 mm -136.04 128.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -113.31 -29.66 7.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -152.38 162.56 41.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.24 167.67 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -128.25 91.03 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.87 78.44 5.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.454 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.1 OUTLIER -107.13 172.43 3.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.56 -4.28 85.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 7.8 ttm -125.39 126.44 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . 39.0 mttp -134.95 94.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -145.36 -171.05 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CE1' HG23 ' A' ' 8' ' ' VAL . 30.0 p90 -158.68 160.26 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.33 140.3 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.55 -149.35 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.96 135.47 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.585 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -141.94 -169.0 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.53 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.46 -175.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -70.84 -57.17 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.5 m -55.06 -37.03 66.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.039 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.575 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.7 mp -54.17 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 10.9 m -37.79 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.38 -69.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 8.2 p90 -91.29 5.44 49.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.8 mt-30 -91.24 -37.32 13.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.22 -29.58 64.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -95.51 -0.41 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' LEU . 1.3 tt0 -39.91 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.2 -43.39 3.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.09 14.66 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 60' ' ' LEU . 17.7 tp -157.91 -70.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 10' ' ' PHE . 20.4 mm -80.52 126.68 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' CB ' HG23 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.91 -40.91 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 m -152.24 135.8 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.11 133.03 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -126.23 71.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 15.7 tt0 -64.16 123.79 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -120.51 8.95 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.52 -160.35 32.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -98.11 119.71 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.815 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -109.93 160.35 16.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.38 109.16 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.501 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -110.89 166.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -139.58 162.47 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LYS . 15.3 m-85 -124.01 137.93 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.3 ptmt -49.46 177.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -93.49 34.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 20.2 t70 -123.94 -43.59 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -38.94 152.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -90.56 163.41 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -52.91 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -36.9 72.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -61.44 -46.39 90.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.51 -58.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.363 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -56.72 -31.46 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.81 -66.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -38.66 -36.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.08 -58.2 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -38.55 81.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -38.77 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -75.69 -38.56 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' N ' HG12 ' A' ' 26' ' ' VAL . 2.2 mm -57.73 -50.86 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.31 75.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -69.76 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.98 -67.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.32 163.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.89 164.17 25.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 45' ' ' PHE . 24.9 mm -120.56 124.83 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.9 p -111.21 -31.16 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.09 157.82 43.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.63 1.206 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.68 166.93 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -125.87 94.26 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -96.46 77.55 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -110.11 153.78 43.08 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.152 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.55 12.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.92 -9.5 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -143.13 143.16 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 0.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -139.08 92.33 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.59 -171.09 15.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.589 1.181 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 23.6 p90 -156.29 163.7 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.98 149.17 52.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.84 -157.53 24.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.24 123.86 43.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 8.0 mp -129.07 -170.46 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.554 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.33 -174.47 0.41 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.33 -58.53 5.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.451 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 3.1 m -55.52 -32.33 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.066 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.9 mt -54.03 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -39.94 -31.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -67.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 10.9 p90 -91.3 -40.83 11.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -46.82 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.58 -21.37 4.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.076 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 tp -90.82 22.27 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -59.34 167.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 13.07 43.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.442 1.089 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.47 -61.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -130.89 5.74 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -124.08 114.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -37.89 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.0 m -153.91 148.29 26.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 HD12 ' CD1' ' A' ' 65' ' ' ILE . 0.5 OUTLIER -133.77 132.89 56.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.96 81.04 1.97 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -75.37 133.77 41.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.96 22.82 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.56 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.537 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.12 -170.31 30.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 22.0 mttt -104.55 155.27 18.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 7.6 m-85 -137.12 165.83 25.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mt -140.58 96.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.99 163.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -137.55 176.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.512 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 64.5 m-85 -136.33 143.24 44.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -50.2 178.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.92 34.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 16.9 t70 -124.8 -43.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.31 152.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.257 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.73 175.11 7.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -53.09 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -58.21 -36.86 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -46.23 91.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.71 -58.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.515 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 23.8 mtt180 -56.79 -30.65 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.78 -66.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.9 m -39.2 -41.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -62.92 -54.29 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.44 -39.65 76.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -41.25 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -42.96 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.19 -41.47 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.09 -40.08 28.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.64 -66.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.78 -65.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.82 166.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.72 -179.35 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -136.01 129.77 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.3 p -110.93 -31.04 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.187 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -150.98 161.78 42.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.24 167.38 20.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.82 94.96 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -99.17 76.1 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.9 mtt -112.76 155.45 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.54 15.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.78 -15.06 15.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 ttm -136.58 132.2 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.47 89.85 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -150.75 -167.67 14.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 7.4 p90 -153.1 167.15 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.09 139.21 39.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.88 -146.08 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.88 136.45 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.605 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -142.08 -166.57 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.48 HG22 ' CB ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -154.23 -179.85 1.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.58 -55.06 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.493 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -52.46 -43.03 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 2.0 mp -52.25 -70.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.476 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.6 m -37.74 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -58.53 -69.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 14.8 p90 -90.87 10.16 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 9.4 mt-30 -91.17 -52.48 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.35 97.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -8.51 59.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 6.5 tt0 -39.86 148.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.01 54.75 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -126.9 4.21 6.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 tp -152.04 -48.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.431 ' CG2' ' OE1' ' A' ' 61' ' ' GLN . 20.3 mm -99.0 123.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -85.57 -35.89 20.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -153.16 136.38 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.458 HD13 ' CG ' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -119.83 114.5 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -112.14 67.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.583 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 12.4 tt0 -61.66 126.85 28.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.2 19.01 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.394 1.059 . . . . 0.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.439 ' CB ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 -162.03 23.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 13.2 mttm -98.31 153.67 18.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 20.5 m-85 -139.66 161.71 36.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mt -140.45 101.66 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -110.94 162.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -137.35 164.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 56.7 m-85 -124.16 146.68 48.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.0 ptmt -52.01 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.37 35.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' VAL . 3.2 m-20 -125.36 -44.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.4 146.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.3 p -91.34 166.74 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -47.05 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -59.84 -42.38 93.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -46.83 88.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.36 -58.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 22.5 mtt180 -56.77 -30.59 63.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.92 -67.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 m -41.01 -40.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.49 -53.8 42.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -39.43 85.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -55.71 -36.04 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -79.19 -38.43 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -57.3 -51.32 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.5 -49.85 30.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 26.8 tt0 -49.06 -68.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.94 -69.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -44.48 169.77 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.01 174.6 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.553 HD12 ' CE1' ' A' ' 45' ' ' PHE . 39.9 mm -125.7 129.3 72.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -112.56 -30.68 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.12 161.05 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.86 167.79 20.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 57.2 m-85 -127.85 96.07 4.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -92.76 79.56 4.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.448 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -99.75 170.7 6.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 0.91 75.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -130.49 136.31 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -139.24 97.84 3.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.43 -171.86 12.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 8' ' ' VAL . 24.4 p90 -158.09 163.64 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -133.99 145.22 49.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.72 -149.4 8.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -105.87 129.65 53.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -135.47 -168.88 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.569 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -153.75 -173.65 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.99 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.0 -61.19 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 2.2 m -55.88 -34.15 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 1.1 mt -52.46 -81.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -38.8 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.51 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 9.8 p90 -92.72 -8.27 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -74.88 -40.09 61.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.17 -53.27 43.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.76 -2.19 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.358 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 17.9 tt0 -39.77 146.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 61' ' ' GLN . . . 99.57 -27.77 18.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.63 2.95 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 60' ' ' LEU . 4.7 tp -151.97 -46.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.89 119.1 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -83.1 -38.93 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -148.56 136.78 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.12 120.19 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -121.28 70.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 126.75 28.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -124.5 19.36 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.093 0 O-C-N 124.535 1.147 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.23 -161.27 33.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 77.4 mttt -97.78 113.06 24.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.381 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 70' ' ' GLU . 5.9 m-85 -102.57 164.33 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.452 ' CG2' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.46 98.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.514 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -101.78 164.85 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -139.71 174.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.489 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 17.5 m-85 -134.14 142.69 47.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -54.71 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.86 36.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -124.54 -45.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.78 149.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.01 -178.03 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.33 -57.45 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -33.8 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -62.24 -46.02 90.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.1 -57.62 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 3.8 mtp180 -58.29 -32.84 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.4 mt-10 -64.18 -64.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' GLU . 24.1 m -38.72 -45.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -62.73 -53.41 54.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -39.47 74.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -43.86 64.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -50.29 -43.0 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.95 -24.02 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -76.09 -71.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.35 -70.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.79 168.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.17 -179.68 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.655 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 14.8 mm -123.89 133.25 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.4 t -114.13 -26.36 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 46' ' ' ALA . 1.1 m-80 -155.23 163.69 39.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.177 . . . . 0.0 109.202 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.26 169.68 16.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 78.5 m-85 -128.04 90.92 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -90.29 79.73 6.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.08 164.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -65.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 1.17 76.24 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.497 1.123 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.13 133.87 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 0.764 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 94.93 2.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.47 -168.45 13.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.655 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 17.6 p90 -155.77 161.31 40.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB1' ' CG2' ' A' ' 7' ' ' ILE . . . -127.96 153.35 46.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 169.14 -158.74 31.44 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.23 136.99 38.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.437 ' CD2' ' CZ ' ' A' ' 57' ' ' PHE . 2.8 mp -141.18 -168.0 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.55 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.45 -174.39 0.4 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.456 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.0 -33.62 4.44 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.17 -52.04 51.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -58.26 -36.64 73.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 7.4 mt -52.37 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -39.48 -32.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -49.77 -68.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 12.5 p90 -91.0 -41.24 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.57 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -53.48 -38.1 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -54.47 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -79.0 1.79 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' PHE . 45.9 tt0 -39.28 158.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 87.84 -0.74 84.73 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 9.2 t70 -117.15 -44.77 2.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -131.66 2.25 4.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 68' ' ' ILE . 2.0 mm -120.08 115.22 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -84.6 -36.02 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.6 m -157.34 151.35 24.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.577 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -140.13 133.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.43 81.64 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.3 tt0 -70.95 132.93 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -133.35 12.43 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.461 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.571 1.17 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.88 -169.59 34.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 12.8 mttt -97.35 115.55 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 70' ' ' GLU . 5.5 m-85 -103.81 158.93 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.94 85.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG23 ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.52 161.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -140.26 153.83 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 3.7 m-85 -113.86 145.98 40.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.4 ptmt -50.47 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.4 1.062 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -96.4 35.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.464 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 50.7 t0 -125.42 -44.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -37.73 151.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -91.14 161.81 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -51.91 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -40.04 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -61.79 -46.8 88.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.44 -58.56 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 3.2 mtt180 -56.62 -32.25 65.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -66.31 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.2 m -39.36 -37.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.54 -56.9 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.8 70.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.35 -39.36 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -41.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.61 -42.56 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.7 -47.33 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.78 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -170.73 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.22 167.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.84 169.83 17.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.396 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 5.6 mm -130.29 125.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 p -108.17 -31.15 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.63 156.95 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.95 170.33 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -134.1 87.08 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.01 58.38 5.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.78 166.32 36.56 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.935 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 39' ' ' MET . 18.1 Cg_endo -74.94 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.54 4.13 75.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -140.03 123.98 17.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 0.794 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.94 -171.83 13.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.605 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 23.2 p90 -159.56 162.51 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.23 133.82 45.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.86 -160.59 15.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.99 111.53 23.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 7.3 mp -115.0 -170.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.534 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -148.19 -175.85 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -52.5 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -53.75 -41.43 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 1.1 mt -51.4 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 90.1 m -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.1 -72.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 14.0 p90 -92.1 10.98 26.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 3.7 mt-30 -90.5 -46.73 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.44 60.54 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -73.78 -5.97 44.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.725 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 23.3 tt0 -39.19 152.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.59 -33.65 6.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.34 14.91 19.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' CD2' HD23 ' A' ' 60' ' ' LEU . 8.4 tp -159.72 -44.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 68' ' ' ILE . 16.3 mm -106.14 124.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.68 -36.28 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -153.53 134.25 13.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.21 115.84 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.74 63.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.73 132.89 49.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.02 28.19 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.49 ' CB ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -167.3 32.04 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 10.0 ttpt -99.95 142.68 31.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.2 m-85 -129.81 165.95 20.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.38 104.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.08 165.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.462 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -137.92 171.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD2' HG12 ' A' ' 19' ' ' ILE . 9.1 m-85 -130.76 139.28 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.7 ptmt -50.0 177.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.0 34.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.469 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 29.9 t70 -124.49 -43.57 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.98 148.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -91.2 169.62 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 -53.11 46.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.9 -38.77 79.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.25 -46.59 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -52.7 -58.61 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 13.9 mtt-85 -57.08 -32.65 66.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.1 mt-10 -65.12 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 m -38.83 -42.11 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -65.48 -55.69 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -39.31 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.89 67.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.65 -36.54 47.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -58.55 -57.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.14 96.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.79 -66.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -169.46 -68.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.59 168.3 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.67 176.19 8.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 45' ' ' PHE . 30.7 mm -131.32 129.77 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -113.06 -28.7 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -150.58 158.17 43.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.84 166.02 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.42 100.07 6.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.89 59.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.93 156.49 44.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.73 -5.02 6.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.82 102.92 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -106.39 88.74 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.19 -174.98 14.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 9.1 p90 -160.65 161.91 32.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.12 135.65 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.36 -161.72 17.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.173 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 108.64 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.544 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 7.6 mp -110.61 -170.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -154.3 -172.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.03 -35.74 2.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -61.38 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.2 m -54.77 -33.99 62.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.632 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 3.1 mt -50.82 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -39.12 -30.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.6 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.219 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 3.4 p90 -91.85 -34.25 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 61' ' ' GLN . 1.2 mm-40 -40.03 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.82 -20.49 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 64' ' ' LEU . 8.6 tp -90.23 21.57 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.437 ' NE2' ' HA ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -62.34 168.97 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.25 14.02 24.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -121.59 -52.23 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -140.1 8.46 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mm -129.59 112.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.376 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -39.5 24.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -152.99 140.76 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt -127.39 128.89 70.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -125.35 79.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' HG2' ' CD2' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -68.17 136.81 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.87 13.53 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.574 1.171 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.79 -168.47 40.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.068 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -98.63 123.04 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -112.4 160.71 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.31 98.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.419 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -106.48 168.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG22 ' CB ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -139.52 162.85 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.44 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 21.4 m-85 -121.12 139.43 53.34 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.481 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.9 ptmt -47.83 175.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.45 36.34 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.481 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 17.7 t70 -123.96 -45.57 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.93 151.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -90.9 163.87 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.35 -53.49 55.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -38.67 74.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -46.64 89.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.13 -58.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.51 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 2.4 mtp180 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.99 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -41.89 -40.02 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HD3' ' CB ' ' A' ' 45' ' ' PHE . 25.8 mtmt -64.07 -51.65 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.203 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -51.92 -38.97 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -32.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -64.3 -58.78 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.96 76.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.7 tm-20 -67.85 -71.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.37 -66.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.605 1.191 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.76 171.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.52 176.38 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 110.363 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 11.4 mm -133.05 130.9 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t -115.12 -29.2 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -160.29 117.16 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.26 166.07 11.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -115.98 87.9 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -88.1 77.19 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.91 155.22 55.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.58 -1.06 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -149.77 120.5 7.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.11 98.64 5.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.14 -170.4 20.03 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 21.7 p90 -156.84 159.58 38.34 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . . . -131.69 128.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -163.53 -159.46 10.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.435 1.085 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.05 109.71 22.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.575 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 7.1 mp -111.57 -169.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.538 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -148.46 -175.69 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.538 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.1 Cg_endo -74.99 -37.91 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -65.46 -55.13 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 2.8 m -56.74 -34.09 67.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 1.4 mt -53.48 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.519 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 87.3 m -37.57 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.62 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.575 ' CZ ' HD22 ' A' ' 49' ' ' LEU . 10.4 p90 -92.38 -3.07 55.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HB2' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -72.44 -76.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.89 -19.66 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 tp -86.77 12.13 11.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.251 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.03 169.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.35 13.46 29.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.42 -53.28 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -138.51 11.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.38 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' ' HG3' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -131.53 114.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -81.59 -40.55 22.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.6 m -154.36 147.71 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -124.74 137.55 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -132.76 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -67.11 135.21 53.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -131.58 16.62 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.73 -161.55 35.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 2.1 mttm -98.17 148.52 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 15.7 m-85 -137.75 161.81 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.97 99.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -101.85 164.81 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -138.1 168.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.474 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 8.1 m-85 -134.03 143.64 48.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -54.91 178.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.57 36.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.6 t0 -125.12 -43.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.67 148.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -91.15 179.14 5.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -44.75 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.32 -38.07 88.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -45.95 91.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.15 -59.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.51 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.82 -31.67 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -65.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -41.44 -35.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -68.47 -56.38 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.55 -39.32 83.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -47.22 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -71.69 -50.74 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.464 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 2.7 mm -43.98 -42.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.37 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' VAL . 17.0 tp10 -66.11 -71.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -162.28 -70.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.98 169.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.16 -175.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 19.7 mm -134.61 131.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -113.97 -29.06 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.88 160.36 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.17 170.32 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.06 104.92 8.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -115.32 58.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 155.52 40.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.65 -12.74 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 113.48 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -115.79 93.87 4.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.08 -170.16 17.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.547 ' CE2' HG22 ' A' ' 8' ' ' VAL . 13.1 p90 -158.16 161.43 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.2 151.89 50.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 -147.24 11.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -107.07 138.69 42.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -141.45 -169.0 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.548 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.31 -174.94 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.96 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -64.03 -52.37 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.9 m -55.74 -37.61 68.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.9 mt -52.37 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 23.3 m -37.58 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -54.68 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CE2' HD23 ' A' ' 49' ' ' LEU . 11.7 p90 -92.83 7.06 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -90.2 -43.64 10.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.32 -34.94 57.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.61 1.194 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.66 -13.73 44.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -39.0 148.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.14 52.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -113.01 -32.43 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -136.76 8.66 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 109.243 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.45 109.97 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -32.37 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -158.46 153.15 24.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 109.937 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -139.68 139.06 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -134.42 75.43 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 2.7 pm0 -69.09 134.25 49.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -134.99 28.36 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.64 -165.68 38.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -98.23 114.44 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.597 ' CD2' HD13 ' A' ' 54' ' ' LEU . 6.5 m-30 -100.12 165.53 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.57 88.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -94.13 163.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.22 158.2 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 10.3 m-85 -116.91 136.93 52.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.8 ptmt -48.97 176.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -91.89 34.93 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.467 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 49.3 t0 -125.25 -43.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -39.43 153.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.76 161.83 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.02 -50.12 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.81 -38.11 86.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -46.5 89.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.66 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.416 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 44.9 mtt180 -57.27 -30.73 64.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.29 -67.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -37.74 -46.73 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 6.9 mtmt -62.14 -55.58 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.89 -39.31 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 tp10 -59.41 -35.29 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.1 -38.21 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' HG12 ' A' ' 33' ' ' ILE . 46.3 mm -57.29 -54.87 24.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.13 63.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 3.1 tt0 -50.88 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -159.41 -70.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.74 163.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 175.77 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 0.8 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.49 ' CG2' ' OE2' ' A' ' 36' ' ' GLU . 17.8 mm -127.14 134.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.9 p -113.01 -26.17 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.371 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -163.07 127.7 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' CG2' ' A' ' 33' ' ' ILE . 28.1 mm-40 -95.94 179.4 5.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -135.35 107.89 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.0 69.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -99.8 160.12 28.14 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.67 3.16 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 -12.13 69.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.9 ttt -125.53 117.88 24.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 0.792 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.64 113.16 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.452 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -154.07 -171.18 20.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 1.7 p90 -159.98 160.58 33.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.481 ' HB3' ' CG2' ' A' ' 7' ' ' ILE . . . -131.49 133.72 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -169.73 -163.86 24.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 130.98 46.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.587 ' HB2' ' CD2' ' A' ' 6' ' ' PHE . 2.6 mp -140.38 -170.46 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.557 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -143.32 -174.38 0.41 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.08 -21.34 15.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.28 -51.85 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.61 -40.8 75.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.597 HD13 ' CD2' ' A' ' 6' ' ' PHE . 1.1 mp -55.67 -68.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.8 m -37.61 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.79 -70.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 18.3 p90 -90.0 19.62 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 55' ' ' THR . 3.1 mt-30 -91.58 -76.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.15 -21.06 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp -88.58 16.56 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -54.72 170.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.76 15.01 25.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -121.77 -48.05 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -143.86 10.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mm -132.82 116.88 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.428 ' CB ' HG21 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.11 -42.76 13.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.1 m -145.01 152.9 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.412 HD11 ' NE2' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -139.92 120.39 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -119.2 82.62 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -71.59 135.7 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -136.4 40.57 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.363 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.501 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -176.37 54.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.8 155.98 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.8 m-85 -135.44 168.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.19 111.65 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -121.25 154.82 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -134.35 159.71 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 10.4 m-85 -116.58 144.39 44.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -47.74 174.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.34 35.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.478 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 57.6 t0 -124.15 -48.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -39.52 148.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.35 179.44 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.944 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 tt0 -71.54 -64.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.241 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' GLU . 5.4 t70 -39.04 -64.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 1.5 mttm -43.84 -45.57 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.88 -58.12 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 15.0 mtm180 -57.14 -31.91 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.3 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -38.1 -38.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -66.7 -55.94 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.46 -39.51 83.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.56 -45.06 62.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -44.43 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.81 -44.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.4 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.36 -72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.74 -71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.23 166.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.08 179.77 5.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.432 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.7 mm -130.81 130.89 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p -115.87 -30.35 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -152.9 160.01 43.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.065 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.42 171.34 13.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -132.07 93.36 3.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -95.96 78.8 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 157.58 40.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -11.17 21.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.6 7.23 4.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 91.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.39 77.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.468 ' CA ' HG21 ' A' ' 9' ' ' ILE . . . -132.97 -171.27 12.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CE2' HG23 ' A' ' 8' ' ' VAL . 19.4 p90 -154.42 161.29 41.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.17 150.44 52.15 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.17 -150.77 14.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.49 134.1 42.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.77 -169.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.484 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -153.14 -178.02 0.8 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.02 -23.18 14.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -55.33 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -55.69 -36.84 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.58 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.4 mp -56.94 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.5 m -37.74 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.81 -69.91 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 11.1 p90 -89.86 11.34 20.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 54' ' ' LEU . 10.4 mt-30 -91.33 -58.27 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.93 76.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.7 tp -86.19 -11.25 52.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tt0 -38.44 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.3 -8.14 64.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.48 -33.78 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -142.47 11.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.412 HG23 ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -133.85 118.25 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.419 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -79.75 -44.31 20.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -154.1 145.85 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -126.23 124.69 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.16 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -125.1 77.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -68.22 128.49 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -123.85 17.36 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.65 -157.31 27.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.12 152.35 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 21.5 m-85 -138.72 159.09 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -139.17 99.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.622 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 1.5 m -107.67 168.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.11 174.61 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.558 ' CD2' HG12 ' A' ' 19' ' ' ILE . 6.7 m-85 -134.66 141.76 46.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -49.55 175.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.34 35.61 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.472 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.2 t70 -124.19 -45.27 1.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 ' CB ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.42 148.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -91.25 179.67 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -76.0 -49.45 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.28 -45.01 88.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -59.99 -45.72 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.558 HG12 ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -53.72 -57.81 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 1.2 mtt180 -58.01 -31.37 66.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.7 mt-10 -66.21 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' GLU . 86.3 m -37.75 -43.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.401 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -64.3 -55.3 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.33 -39.42 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -37.78 65.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.43 -38.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.414 HD11 ' CG1' ' A' ' 33' ' ' ILE . 2.0 mm -57.05 -40.05 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.48 -41.55 21.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.27 -66.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -167.4 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.576 1.173 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.96 168.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 170.68 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 3.7 mm -126.83 129.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -111.7 -29.45 7.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.64 159.51 44.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.48 170.1 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -131.89 101.56 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -110.43 58.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.46 161.35 28.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 -10.03 31.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 ttm -126.96 106.03 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -114.13 89.59 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.1 -171.91 14.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.622 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 24.5 p90 -161.05 160.82 31.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.97 147.77 51.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.05 -153.67 18.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 137.47 38.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 0.74 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -140.51 -167.71 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.561 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.05 -173.74 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.94 2.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.97 -59.01 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.551 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.1 m -57.18 -34.41 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.602 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 1.1 mt -49.98 -80.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.9 m -39.2 -32.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.09 -64.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 2.5 p90 -93.21 -13.05 28.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.473 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.76 -36.39 67.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.9 -47.83 36.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -85.22 -3.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 0.83 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 36.1 tt0 -39.36 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 90.44 -18.35 49.73 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.565 1.166 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -33.25 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.95 11.4 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.85 108.55 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.67 -36.51 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -151.72 152.45 32.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.476 ' CD1' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -139.51 127.45 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -126.18 76.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.495 ' HB3' ' CE2' ' A' ' 6' ' ' PHE . 1.6 mt-10 -66.01 134.51 53.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.97 16.74 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.483 ' CB ' HG21 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 -169.85 42.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -99.19 142.75 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 8.6 m-85 -129.65 167.56 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.46 91.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.567 HG23 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -96.0 163.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.438 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.2 158.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.454 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 21.4 m-85 -117.59 142.34 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.9 ptmt -50.87 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.7 35.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' VAL . 4.4 t70 -124.85 -44.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.48 150.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.65 179.99 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -61.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.58 -32.9 52.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -62.14 -46.36 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.28 -57.8 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.495 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 36.9 mtt180 -57.46 -31.52 66.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.34 -65.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.6 m -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -63.75 -55.66 21.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.19 -38.89 59.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.24 78.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -71.86 -40.41 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' N ' HG11 ' A' ' 26' ' ' VAL . 8.9 mm -58.38 -40.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.98 -16.83 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -86.25 -66.89 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -172.27 -56.74 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.06 169.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.31 175.92 9.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.587 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 4.8 mm -137.28 127.54 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -112.04 -27.7 8.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -154.04 158.6 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.05 171.08 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -129.28 115.34 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -120.42 60.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mmt -89.26 154.53 49.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 89.87 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 -12.38 9.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.17 120.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.804 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.57 104.13 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -148.75 -170.71 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 9.6 p90 -163.11 162.41 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.06 135.35 48.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -164.65 -163.49 17.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.6 103.99 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 5.6 mp -105.57 -170.27 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.506 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.46 -177.43 0.73 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.05 -25.53 11.7 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.5 1.789 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -60.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 110.227 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -39.14 56.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.622 HD23 ' CE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -54.97 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.1 m -37.62 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.69 -74.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.622 ' CE1' HD23 ' A' ' 54' ' ' LEU . 34.4 p90 -91.75 27.03 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -86.59 -84.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.12 -21.41 8.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' GLN . 6.6 tp -73.71 -3.82 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -42.92 166.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.85 51.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -121.35 -54.29 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -132.67 0.16 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.489 ' N ' HD11 ' A' ' 64' ' ' LEU . 1.7 mm -126.7 116.5 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -151.3 151.95 32.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -140.52 115.17 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.27 98.38 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -83.39 131.04 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.77 23.75 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 -170.12 21.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -99.61 145.69 27.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.4 0.706 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.591 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.4 m-85 -130.77 165.85 22.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.21 96.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -111.68 156.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CD1' ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -133.08 173.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CD2' HD13 ' A' ' 64' ' ' LEU . 5.2 m-85 -123.67 153.16 41.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' CD ' ' HB2' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -68.87 -167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -100.93 36.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.509 ' HB2' ' CD ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -126.13 -42.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.522 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -37.7 151.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.42 173.83 7.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -60.85 2.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.35 86.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.76 -58.86 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -56.14 -32.91 64.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -66.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 m -38.98 -40.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.4 -54.78 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -39.59 86.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -55.77 -34.45 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -80.58 -41.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' N ' HG13 ' A' ' 26' ' ' VAL . 2.4 mm -54.36 -49.5 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.9 -52.34 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 9.7 tt0 -47.17 -71.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.51 -70.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -42.72 166.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -130.81 -175.55 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.6 mm -140.11 127.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 t -113.77 -31.33 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.11 159.53 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.03 166.49 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.91 95.0 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -107.14 58.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.14 165.14 15.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 80.83 2.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.26 -3.47 8.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.01 88.05 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -99.16 71.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' CA ' HG21 ' A' ' 9' ' ' ILE . . . -134.47 -169.72 12.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.3 p90 -158.21 165.68 34.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 0.728 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -135.31 139.28 44.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.04 -147.16 7.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.6 mt-10 -100.97 138.47 37.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.357 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.591 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 4.8 mp -141.58 -166.24 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.493 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -160.85 -177.79 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -54.75 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.567 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.28 -38.81 69.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.591 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 3.1 mp -53.4 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -37.74 -30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -57.95 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 2.6 p90 -91.26 9.52 31.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 54' ' ' LEU . 7.9 mt-30 -92.18 -34.92 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.53 19.12 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.02 -4.37 37.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -39.58 145.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.02 -41.87 2.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.6 1.188 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -101.65 12.67 36.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.547 HD13 ' CD2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -160.4 -48.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -91.6 117.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -82.33 -40.85 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 141.13 19.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.464 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 0.4 OUTLIER -126.46 111.13 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -109.04 68.92 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.58 121.09 13.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -116.6 12.54 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.19 -165.95 28.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.406 1.066 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 55.1 mttt -99.01 141.79 31.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 4.2 m-85 -129.3 165.96 20.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.41 103.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.83 160.81 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -140.56 155.15 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.5 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 47.3 m-85 -114.63 149.67 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' CG ' ' A' ' 66' ' ' ASP . 11.1 ptmt -51.57 -177.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.48 36.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -127.49 -45.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -39.24 148.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -91.43 178.98 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -56.07 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -46.8 -45.56 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -51.97 -58.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.85 -32.84 66.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.4 mt-10 -65.01 -65.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -38.85 -39.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.36 -56.03 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.47 -39.86 85.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -51.02 -41.54 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -38.59 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mm -55.35 -57.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.55 94.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.59 -70.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.73 -66.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.8 167.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.04 177.78 7.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 0.749 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.5 mm -134.73 127.5 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -111.75 -28.99 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -151.51 155.42 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.61 167.32 20.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.07 84.72 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -87.66 79.64 8.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.03 171.78 4.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.46 0.19 89.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.587 1.179 . . . . 0.0 110.974 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.13 110.27 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 89.64 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -146.59 -170.84 15.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.0 p90 -156.01 163.34 39.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.499 0.764 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.42 136.27 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -170.25 -160.4 18.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.52 107.7 19.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.539 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 7.5 mp -107.96 -169.66 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.575 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.71 -172.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.575 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.05 -37.19 2.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.11 -61.48 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.2 m -54.46 -34.3 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.646 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 3.9 mt -50.1 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 m -39.0 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.92 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.646 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 1.2 p90 -91.77 -25.22 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.72 -41.39 61.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.86 -47.52 7.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 21.7 tp -65.25 -12.34 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -43.5 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.226 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' N ' HE21 ' A' ' 61' ' ' GLN . . . 88.81 -37.31 3.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.61 23.63 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -160.3 -61.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 57' ' ' PHE . 1.5 mt -94.05 130.44 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -84.74 -44.48 13.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -149.68 135.52 18.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -114.49 130.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -125.86 72.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG2' ' CD2' ' A' ' 54' ' ' LEU . 3.4 mt-10 -63.89 130.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.16 29.8 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -174.87 23.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -98.87 134.3 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.378 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 5.1 m-85 -120.66 167.99 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.3 90.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.6 m -95.34 165.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.243 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -140.13 163.66 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.516 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 3.1 m-85 -126.33 149.42 49.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' CG ' ' A' ' 66' ' ' ASP . 13.8 ptmt -60.1 176.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -92.25 36.36 0.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.2 m-20 -128.93 -41.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -35.61 147.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.04 160.65 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.21 -51.74 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -46.33 90.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -55.1 -59.01 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.2 mtt180 -55.98 -31.04 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.68 -67.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -42.57 -40.76 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.92 -50.61 61.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.8 -41.04 94.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.03 -43.37 66.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG2' ' OG ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -71.17 -40.0 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mm -53.2 -55.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.6 88.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.97 -75.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -157.35 -72.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.449 1.093 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.89 164.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -134.19 -173.6 3.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 5.3 mm -138.86 127.68 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -112.92 -31.8 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -145.34 160.11 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.15 169.75 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.86 90.28 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -97.69 72.44 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 157.45 34.09 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 95.82 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.98 -13.2 22.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 ttt -127.81 119.83 26.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 86.71 2.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.49 -173.38 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.7 p90 -168.84 163.64 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.06 146.79 52.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 175.07 -145.16 7.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.19 140.01 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.576 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 12.3 mt -141.91 -169.37 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.518 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -161.2 -176.39 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.07 -31.04 6.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.568 1.826 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -55.5 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.51 ' OG ' ' CG2' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -54.65 -39.71 68.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 58' ' ' GLN . 2.2 mt -51.43 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.7 m -38.36 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -55.06 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 68' ' ' ILE . 9.9 p90 -91.93 5.5 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.9 mm100 -90.79 122.02 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.082 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.81 -41.22 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.415 1.072 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -77.45 -0.71 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -39.55 157.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.16 -19.71 33.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 1.8 t0 -117.86 -6.0 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 2.2 tp -157.53 -54.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.443 HG21 ' CD1' ' A' ' 68' ' ' ILE . 46.4 mm -89.76 117.1 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -85.1 -31.1 23.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -165.88 135.02 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -114.7 142.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -136.58 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.82 137.42 57.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -136.23 15.63 3.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.611 ' O ' ' CE1' ' A' ' 6' ' ' PHE . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.1 -178.32 0.59 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.52 127.63 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 3' ' ' ALA . 12.0 m-30 -102.87 163.96 11.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.46 HG23 ' CB ' ' A' ' 46' ' ' ALA . 5.6 pt -140.76 94.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.699 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 10.3 m -99.15 157.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.71 167.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CD2' HG13 ' A' ' 19' ' ' ILE . 8.2 m-85 -129.64 140.48 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 66' ' ' ASP . 14.4 ptmt -50.61 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -95.5 35.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.17 152.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 p -90.6 173.88 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.62 -44.04 44.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -40.34 94.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 6.6 mtpt -60.37 -46.22 90.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.624 1.202 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.93 -59.0 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 34.8 mtt180 -56.41 -31.39 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -66.69 -67.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 m -39.96 -37.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -67.0 -56.48 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.61 -39.51 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.57 -40.44 65.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -77.64 -47.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.437 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 1.9 mm -48.04 -40.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.96 -46.58 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.4 -70.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.55 -70.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.8 166.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 -179.67 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.431 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 25.4 mm -130.06 133.13 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -114.47 -26.34 7.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.364 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -159.54 163.81 34.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.49 167.15 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.44 90.52 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.19 54.85 1.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.41 ' HB2' ' CB ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -88.47 165.29 28.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.69 20.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.6 3.5 5.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.41 ' CB ' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -135.56 92.07 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.937 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -100.69 70.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.85 -169.06 11.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.699 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 9.7 p90 -153.91 165.35 36.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 7' ' ' ILE . . . -132.48 160.56 36.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.15 -154.64 25.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.97 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.582 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.23 -168.1 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.546 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -158.41 -175.2 0.49 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.99 -24.67 12.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.581 1.832 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -61.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.482 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.597 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -53.76 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.4 m -37.28 -30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.88 -71.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.597 ' CE1' HD23 ' A' ' 54' ' ' LEU . 23.8 p90 -92.78 14.28 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -90.3 -46.65 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -29.95 62.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -90.22 -21.12 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -38.69 158.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 99.69 -23.27 36.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.92 -28.18 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -134.05 1.04 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.48 ' N ' HD11 ' A' ' 64' ' ' LEU . 1.3 mm -131.67 112.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.422 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -80.62 -43.48 20.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.461 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 2.8 m -137.77 149.72 46.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 0.9 OUTLIER -141.0 109.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 99.45 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 4.4 mp0 -104.89 120.32 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -112.81 66.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.29 -164.57 28.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -98.88 140.91 32.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 6.9 m-85 -132.57 153.9 50.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.513 ' CG2' ' CB ' ' A' ' 46' ' ' ALA . 11.8 pt -140.38 103.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.47 164.04 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.504 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -132.79 173.32 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.8 m-85 -122.0 156.78 32.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.8 ptmt -50.71 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -98.56 37.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 13.6 t0 -131.57 -44.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -38.77 150.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 p -91.74 177.61 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.78 -40.3 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.98 -61.17 2.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -51.3 -45.42 62.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.4 -58.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.379 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.492 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -55.99 -32.73 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.06 -66.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.391 1.057 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -43.63 -37.14 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -65.72 -51.01 62.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.48 -40.88 98.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.5 mt-10 -54.07 -41.12 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -76.18 -39.88 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.477 HD11 ' CG1' ' A' ' 33' ' ' ILE . 1.9 mm -49.73 -55.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -72.76 -57.97 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -37.83 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -154.96 -73.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.23 170.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.99 -175.79 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.477 ' CG1' HD11 ' A' ' 27' ' ' ILE . 4.8 mm -137.93 125.21 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -115.4 -32.08 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -152.9 108.51 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.09 165.61 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 25.4 m-85 -118.62 81.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -83.39 80.25 9.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.78 160.84 54.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.41 4.75 73.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 95.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -107.13 82.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.467 ' CA ' HG21 ' A' ' 9' ' ' ILE . . . -140.18 -170.69 12.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 4.4 p90 -148.21 160.77 42.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 7' ' ' ILE . . . -138.38 122.97 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.03 -133.18 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -116.25 141.05 48.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 1.1 mt -141.72 -167.77 2.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.55 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -154.35 -174.19 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.438 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.04 -34.29 3.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.45 -58.49 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.8 OUTLIER -54.71 -35.3 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.641 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.8 mp -51.86 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -38.14 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -54.45 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.641 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 1.7 p90 -88.34 -2.33 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.7 mm-40 -81.32 120.3 24.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.91 -28.6 9.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.35 -8.66 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.48 ' HG2' ' CG2' ' A' ' 65' ' ' ILE . 7.2 mt-30 -39.98 147.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.65 -23.32 16.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -4.36 10.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 0.715 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 10' ' ' PHE . 1.2 tp -159.94 -65.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 57' ' ' PHE . 3.1 mt -79.6 126.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.454 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -92.37 -40.2 11.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -152.47 135.46 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.597 HD13 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -122.0 125.17 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.61 72.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 1.9 pp20? -69.03 131.54 45.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 27.96 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.482 ' CB ' HG22 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.79 -172.4 14.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -104.25 145.44 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.3 m-85 -129.15 164.38 23.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.61 101.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.557 ' CG2' ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.06 155.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.453 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 0.7 OUTLIER -132.0 170.23 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.452 ' CE2' HG12 ' A' ' 19' ' ' ILE . 5.1 m-85 -130.19 141.29 50.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -52.21 174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.0 36.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.8 t70 -124.79 -43.09 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -39.83 153.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -90.82 163.31 14.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -65.26 -46.33 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.85 -40.81 94.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -60.79 -45.97 92.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.38 -58.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.6 mtt180 -56.38 -30.82 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.03 -67.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -41.19 -35.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -67.86 -54.97 14.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.41 -42.7 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -70.57 -40.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -55.03 -55.31 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.34 -72.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -164.35 -70.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.66 164.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.93 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.58 128.76 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -113.56 -31.39 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -146.67 111.21 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 166.86 11.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -120.67 86.6 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -93.07 75.81 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.87 170.77 5.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.28 -1.79 88.56 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.453 ' HE3' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.94 133.62 44.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.584 0.814 . . . . 0.0 110.991 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -142.69 88.63 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -155.24 -168.65 18.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE1' ' CG2' ' A' ' 8' ' ' VAL . 32.3 p90 -159.91 159.59 32.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.56 136.05 48.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.24 -154.04 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -100.87 121.45 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 6.6 mp -122.47 -169.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.524 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.8 -176.02 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.91 -27.93 9.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -61.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -50.34 -39.96 47.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 57' ' ' PHE . 1.8 mt -51.8 -71.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 79.6 m -36.93 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -58.22 -71.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.579 ' CE1' HD21 ' A' ' 54' ' ' LEU . 20.0 p90 -93.08 17.26 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.8 mt-30 -90.2 -45.64 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.26 -35.48 29.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.72 -20.0 43.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 5.0 tt0 -39.08 147.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 106.99 -21.85 30.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -108.67 -27.81 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -136.07 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 64' ' ' LEU . 1.2 mm -135.3 118.29 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.442 ' CB ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -81.47 -47.04 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -144.69 154.84 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.441 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.96 116.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -113.28 73.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 2.6 mt-10 -67.26 132.26 47.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.11 28.62 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.543 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 p -47.41 172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.474 ' CB ' HG22 ' A' ' 50' ' ' THR . . . -89.58 8.35 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.18 -168.13 20.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 11.3 ttpt -99.4 146.94 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.3 m-85 -132.49 168.33 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -140.47 108.13 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.56 159.72 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -137.44 152.74 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.501 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 59.3 m-85 -113.65 139.96 48.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -49.02 177.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.54 34.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 38.1 t0 -124.88 -41.91 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.17 153.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.86 168.08 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -56.19 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.83 -33.17 68.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.64 -46.4 89.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.64 -58.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.8 mtp180 -56.25 -30.55 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.11 -67.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -42.62 -46.59 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HD2' ' CD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.76 -47.43 83.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.62 -39.4 91.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.22 -34.31 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -78.94 -37.43 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 ' N ' HG11 ' A' ' 26' ' ' VAL . 2.2 mm -59.55 -50.37 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.88 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -53.3 -70.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -163.98 -68.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.56 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.1 -177.78 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 110.386 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.502 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 5.7 mm -132.45 131.96 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.0 t -114.02 -29.32 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ALA . 5.0 t-20 -151.77 161.96 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.38 99.64 5.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -106.2 70.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.87 161.5 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 104.49 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.33 60.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.9 ttm -123.07 117.14 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . 15.9 mtmm -121.15 92.72 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.23 -172.95 13.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 8' ' ' VAL . 29.5 p90 -164.98 161.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 35' ' ' ASN . . . -131.58 142.84 49.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.79 -149.04 8.34 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.2 mt-10 -102.08 130.72 48.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 7.7 mp -135.09 -169.2 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.532 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.27 -175.52 0.52 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.03 -29.11 8.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.576 1.829 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -61.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -37.48 46.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.617 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 mp -53.05 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m -37.12 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.04 -71.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.24 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.617 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 6.3 p90 -90.71 16.75 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -91.5 -38.88 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.62 -42.57 7.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -70.43 -7.14 40.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.421 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -43.22 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.8 -41.93 3.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.83 23.73 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 60' ' ' LEU . 3.4 tp -160.13 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 68' ' ' ILE . 1.5 mt -93.9 126.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -83.28 -40.43 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 m -147.34 138.67 23.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' CD1' HD13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -125.09 132.38 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -137.32 102.66 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.446 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -87.22 134.14 33.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -127.48 15.66 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -93.28 -54.01 1.78 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.91 65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.7 t -104.99 -62.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.4 m 62.44 150.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 64.3 p 44.8 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p 72.44 135.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.49 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -115.86 12.44 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 -165.57 13.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -98.91 155.7 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 18.9 m-85 -138.08 166.32 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.35 93.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -103.0 160.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -139.4 150.58 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 48.3 m-85 -108.99 145.02 36.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.2 ptmt -51.34 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -96.61 35.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.72 -45.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.497 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.64 150.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 p -91.07 165.05 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -47.09 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.2 -38.94 93.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.93 91.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.67 -58.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.504 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 84.4 mtt-85 -57.36 -30.55 64.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.62 -66.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -38.76 -40.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -63.73 -55.6 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.99 -42.35 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.19 -38.55 58.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.46 -42.13 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.436 HD12 ' CG1' ' A' ' 33' ' ' ILE . 6.2 mm -50.27 -52.17 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.16 -58.21 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.2 tp10 -38.62 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -165.84 -67.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.34 164.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.31 179.48 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.433 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 ' CD1' ' CE2' ' A' ' 45' ' ' PHE . 19.8 mm -136.04 128.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.1 t -113.31 -29.66 7.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -152.38 162.56 41.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.24 167.67 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -128.25 91.03 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.87 78.44 5.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.454 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.1 OUTLIER -107.13 172.43 3.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.56 -4.28 85.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 7.8 ttm -125.39 126.44 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 19' ' ' ILE . 39.0 mttp -134.95 94.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -145.36 -171.05 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CE1' HG23 ' A' ' 8' ' ' VAL . 30.0 p90 -158.68 160.26 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.33 140.3 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -179.55 -149.35 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.96 135.47 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.585 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.6 OUTLIER -141.94 -169.0 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.53 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.46 -175.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.53 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -70.84 -57.17 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.5 m -55.06 -37.03 66.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.039 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.575 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.7 mp -54.17 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 10.9 m -37.79 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.38 -69.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.575 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 8.2 p90 -91.29 5.44 49.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LEU . 4.8 mt-30 -91.24 -37.32 13.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.22 -29.58 64.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -95.51 -0.41 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' LEU . 1.3 tt0 -39.91 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.2 -43.39 3.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.09 14.66 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 HD22 ' CD2' ' A' ' 60' ' ' LEU . 17.7 tp -157.91 -70.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.425 HD12 ' CD1' ' A' ' 10' ' ' PHE . 20.4 mm -80.52 126.68 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' CB ' HG23 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.91 -40.91 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 m -152.24 135.8 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.11 133.03 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -126.23 71.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.575 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 15.7 tt0 -64.16 123.79 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -120.51 8.95 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -75.81 151.89 41.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 3' ' ' ALA . 4.2 mp -127.54 136.48 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.209 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -97.93 72.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m 44.44 87.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 96.2 m -133.73 127.16 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.478 ' CB ' ' OE1' ' A' ' 48' ' ' GLU . 2.0 p 72.18 164.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 0.805 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.74 -42.58 7.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.52 -160.35 32.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -98.11 119.71 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.815 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -109.93 160.35 16.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.38 109.16 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -110.89 166.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -139.58 162.47 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 11' ' ' LYS . 15.3 m-85 -124.01 137.93 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.3 ptmt -49.46 177.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -93.49 34.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 20.2 t70 -123.94 -43.59 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -38.94 152.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -90.56 163.41 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -52.91 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -36.9 72.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -61.44 -46.39 90.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.51 -58.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.363 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -56.72 -31.46 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.81 -66.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -38.66 -36.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.08 -58.2 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -38.55 81.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -38.77 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -75.69 -38.56 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' N ' HG12 ' A' ' 26' ' ' VAL . 2.2 mm -57.73 -50.86 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.31 75.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -69.76 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.98 -67.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.32 163.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.89 164.17 25.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.544 HD11 ' CD1' ' A' ' 45' ' ' PHE . 24.9 mm -120.56 124.83 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.9 p -111.21 -31.16 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.09 157.82 43.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.63 1.206 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.68 166.93 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -125.87 94.26 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -96.46 77.55 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -110.11 153.78 43.08 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.152 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.55 12.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.92 -9.5 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -143.13 143.16 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 0.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -139.08 92.33 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.59 -171.09 15.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.589 1.181 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.565 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 23.6 p90 -156.29 163.7 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.98 149.17 52.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.84 -157.53 24.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' OE1' ' CB ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -99.24 123.86 43.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 8.0 mp -129.07 -170.46 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.554 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.33 -174.47 0.41 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.33 -58.53 5.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.451 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 3.1 m -55.52 -32.33 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.066 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.9 mt -54.03 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -39.94 -31.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -67.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 10.9 p90 -91.3 -40.83 11.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -46.82 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.58 -21.37 4.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.076 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.6 tp -90.82 22.27 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -59.34 167.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 13.07 43.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.442 1.089 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.47 -61.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -130.89 5.74 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -124.08 114.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -37.89 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.0 m -153.91 148.29 26.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 HD12 ' CD1' ' A' ' 65' ' ' ILE . 0.5 OUTLIER -133.77 132.89 56.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.96 81.04 1.97 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -75.37 133.77 41.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.96 22.82 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.56 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -91.18 -104.49 1.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.65 103.52 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -115.86 105.53 18.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 m -159.06 65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.9 m -118.79 -59.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -62.54 -139.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.537 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -91.19 42.96 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.12 -170.31 30.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 22.0 mttt -104.55 155.27 18.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 7.6 m-85 -137.12 165.83 25.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mt -140.58 96.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -105.99 163.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -137.55 176.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.512 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 64.5 m-85 -136.33 143.24 44.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -50.2 178.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.92 34.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 16.9 t70 -124.8 -43.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.31 152.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.257 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.73 175.11 7.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -53.09 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -58.21 -36.86 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -46.23 91.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.71 -58.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.515 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 23.8 mtt180 -56.79 -30.65 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.78 -66.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.9 m -39.2 -41.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -62.92 -54.29 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.44 -39.65 76.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -41.25 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -42.96 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.19 -41.47 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.09 -40.08 28.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.64 -66.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.78 -65.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.82 166.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.72 -179.35 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -136.01 129.77 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.3 p -110.93 -31.04 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.187 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -150.98 161.78 42.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.24 167.38 20.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.82 94.96 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -99.17 76.1 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.9 mtt -112.76 155.45 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.54 15.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.78 -15.06 15.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 ttm -136.58 132.2 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.47 89.85 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.468 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -150.75 -167.67 14.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 7.4 p90 -153.1 167.15 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.09 139.21 39.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.88 -146.08 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.88 136.45 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.605 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -142.08 -166.57 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.48 HG22 ' CB ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -154.23 -179.85 1.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.58 -55.06 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.493 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -52.46 -43.03 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 2.0 mp -52.25 -70.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.476 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.6 m -37.74 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -58.53 -69.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 14.8 p90 -90.87 10.16 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 9.4 mt-30 -91.17 -52.48 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.35 97.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -8.51 59.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 6.5 tt0 -39.86 148.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.01 54.75 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -126.9 4.21 6.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 tp -152.04 -48.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.431 ' CG2' ' OE1' ' A' ' 61' ' ' GLN . 20.3 mm -99.0 123.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -85.57 -35.89 20.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -153.16 136.38 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.458 HD13 ' CG ' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -119.83 114.5 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -112.14 67.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.583 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 12.4 tt0 -61.66 126.85 28.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.2 19.01 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.394 1.059 . . . . 0.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -60.04 -65.57 3.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 2.2 tt -80.29 84.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.467 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 7.8 p -117.65 78.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.4 m 63.4 143.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 m -64.78 -65.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.429 1.08 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -72.45 -172.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.439 ' CB ' HG23 ' A' ' 50' ' ' THR . . . -93.52 1.59 56.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 -162.03 23.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 13.2 mttm -98.31 153.67 18.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 20.5 m-85 -139.66 161.71 36.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mt -140.45 101.66 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.57 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -110.94 162.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -137.35 164.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 56.7 m-85 -124.16 146.68 48.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.0 ptmt -52.01 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.37 35.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' VAL . 3.2 m-20 -125.36 -44.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.4 146.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.3 p -91.34 166.74 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -47.05 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -59.84 -42.38 93.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -46.83 88.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.36 -58.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 22.5 mtt180 -56.77 -30.59 63.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.92 -67.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 m -41.01 -40.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.49 -53.8 42.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -39.43 85.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -55.71 -36.04 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 31' ' ' GLY . 0.4 OUTLIER -79.19 -38.43 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.7 mm -57.3 -51.32 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.5 -49.85 30.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 26.8 tt0 -49.06 -68.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.94 -69.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -44.48 169.77 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.01 174.6 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.388 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.553 HD12 ' CE1' ' A' ' 45' ' ' PHE . 39.9 mm -125.7 129.3 72.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -112.56 -30.68 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.12 161.05 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.86 167.79 20.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 57.2 m-85 -127.85 96.07 4.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -92.76 79.56 4.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.448 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -99.75 170.7 6.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 0.91 75.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -130.49 136.31 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -139.24 97.84 3.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.43 -171.86 12.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE2' HG22 ' A' ' 8' ' ' VAL . 24.4 p90 -158.09 163.64 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.401 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -133.99 145.22 49.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.72 -149.4 8.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -105.87 129.65 53.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -135.47 -168.88 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.569 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -153.75 -173.65 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.569 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.99 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.0 -61.19 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 2.2 m -55.88 -34.15 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.609 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 1.1 mt -52.46 -81.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -38.8 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.51 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 9.8 p90 -92.72 -8.27 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -74.88 -40.09 61.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.17 -53.27 43.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.76 -2.19 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.358 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 17.9 tt0 -39.77 146.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 61' ' ' GLN . . . 99.57 -27.77 18.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.63 2.95 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 60' ' ' LEU . 4.7 tp -151.97 -46.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.9 mm -98.89 119.1 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -83.1 -38.93 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -148.56 136.78 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -121.12 120.19 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -121.28 70.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 126.75 28.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -124.5 19.36 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -65.11 -74.68 0.46 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.535 1.147 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.1 tt -98.62 121.91 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.3 p -108.75 -44.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.2 m 59.85 151.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 m 68.32 -75.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -171.45 136.56 1.01 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 0.747 . . . . 0.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.404 ' CB ' ' HA ' ' A' ' 50' ' ' THR . . . -75.34 -48.88 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.23 -161.27 33.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 77.4 mttt -97.78 113.06 24.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.381 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 70' ' ' GLU . 5.9 m-85 -102.57 164.33 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.452 ' CG2' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.46 98.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.514 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -101.78 164.85 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -139.71 174.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.489 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 17.5 m-85 -134.14 142.69 47.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -54.71 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.86 36.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -124.54 -45.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.78 149.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.01 -178.03 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.33 -57.45 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -33.8 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -62.24 -46.02 90.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.1 -57.62 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 3.8 mtp180 -58.29 -32.84 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.4 mt-10 -64.18 -64.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 21' ' ' GLU . 24.1 m -38.72 -45.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -62.73 -53.41 54.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -39.47 74.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -43.86 64.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -50.29 -43.0 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.95 -24.02 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -76.09 -71.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.35 -70.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.79 168.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.17 -179.68 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.655 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 14.8 mm -123.89 133.25 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.4 t -114.13 -26.36 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 46' ' ' ALA . 1.1 m-80 -155.23 163.69 39.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.177 . . . . 0.0 109.202 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.26 169.68 16.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 78.5 m-85 -128.04 90.92 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -90.29 79.73 6.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.08 164.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -65.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 1.17 76.24 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.497 1.123 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.13 133.87 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 0.764 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 94.93 2.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.47 -168.45 13.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.655 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 17.6 p90 -155.77 161.31 40.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' HB1' ' CG2' ' A' ' 7' ' ' ILE . . . -127.96 153.35 46.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 169.14 -158.74 31.44 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.23 136.99 38.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.349 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' CD2' ' CZ ' ' A' ' 57' ' ' PHE . 2.8 mp -141.18 -168.0 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.55 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.45 -174.39 0.4 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.456 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.0 -33.62 4.44 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.17 -52.04 51.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -58.26 -36.64 73.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 7.4 mt -52.37 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -39.48 -32.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -49.77 -68.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 12.5 p90 -91.0 -41.24 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.57 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -53.48 -38.1 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -54.47 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -79.0 1.79 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' PHE . 45.9 tt0 -39.28 158.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 87.84 -0.74 84.73 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 9.2 t70 -117.15 -44.77 2.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -131.66 2.25 4.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 68' ' ' ILE . 2.0 mm -120.08 115.22 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -84.6 -36.02 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.6 m -157.34 151.35 24.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.577 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -140.13 133.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.43 81.64 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.3 tt0 -70.95 132.93 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -133.35 12.43 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.461 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . -105.34 144.99 15.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.571 1.17 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 3.3 mt -136.25 143.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.42 58.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.0 t -174.83 151.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.456 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 t -167.72 138.04 2.79 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -154.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.85 -24.67 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.88 -169.59 34.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 12.8 mttt -97.35 115.55 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 70' ' ' GLU . 5.5 m-85 -103.81 158.93 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.94 85.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG23 ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.52 161.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -140.26 153.83 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 3.7 m-85 -113.86 145.98 40.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.4 ptmt -50.47 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.4 1.062 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -96.4 35.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 50.7 t0 -125.42 -44.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -37.73 151.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -91.14 161.81 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -51.91 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -40.04 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -61.79 -46.8 88.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.44 -58.56 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 3.2 mtt180 -56.62 -32.25 65.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -66.31 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.2 m -39.36 -37.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.54 -56.9 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.8 70.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.35 -39.36 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -41.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.61 -42.56 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.7 -47.33 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.78 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -170.73 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.22 167.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.84 169.83 17.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.396 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 5.6 mm -130.29 125.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 p -108.17 -31.15 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.63 156.95 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.95 170.33 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -134.1 87.08 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.01 58.38 5.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.78 166.32 36.56 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.935 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 39' ' ' MET . 18.1 Cg_endo -74.94 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.54 4.13 75.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -140.03 123.98 17.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 0.794 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.94 -171.83 13.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.605 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 23.2 p90 -159.56 162.51 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.23 133.82 45.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.86 -160.59 15.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.99 111.53 23.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 7.3 mp -115.0 -170.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.534 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -148.19 -175.85 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -52.5 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -53.75 -41.43 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 1.1 mt -51.4 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 90.1 m -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.1 -72.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' ' 54' ' ' LEU . 14.0 p90 -92.1 10.98 26.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 3.7 mt-30 -90.5 -46.73 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.44 60.54 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 HD23 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -73.78 -5.97 44.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.725 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 23.3 tt0 -39.19 152.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.59 -33.65 6.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.34 14.91 19.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' CD2' HD23 ' A' ' 60' ' ' LEU . 8.4 tp -159.72 -44.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 68' ' ' ILE . 16.3 mm -106.14 124.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.68 -36.28 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -153.53 134.25 13.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.21 115.84 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.74 63.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.73 132.89 49.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.02 28.19 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.6 -118.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.35 94.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.9 t -148.51 62.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -130.21 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.4 m -71.75 85.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.404 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -40.69 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.49 ' CB ' HG23 ' A' ' 50' ' ' THR . . . -93.86 -15.27 25.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -167.3 32.04 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 10.0 ttpt -99.95 142.68 31.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.2 m-85 -129.81 165.95 20.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.38 104.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.08 165.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -137.92 171.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CD2' HG12 ' A' ' 19' ' ' ILE . 9.1 m-85 -130.76 139.28 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.7 ptmt -50.0 177.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.0 34.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.469 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 29.9 t70 -124.49 -43.57 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.98 148.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -91.2 169.62 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 -53.11 46.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.9 -38.77 79.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.25 -46.59 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -52.7 -58.61 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 13.9 mtt-85 -57.08 -32.65 66.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.1 mt-10 -65.12 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 m -38.83 -42.11 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -65.48 -55.69 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -39.31 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.89 67.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.65 -36.54 47.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -58.55 -57.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.14 96.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.79 -66.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -169.46 -68.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.59 168.3 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.67 176.19 8.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 45' ' ' PHE . 30.7 mm -131.32 129.77 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -113.06 -28.7 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -150.58 158.17 43.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.84 166.02 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.42 100.07 6.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.89 59.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.93 156.49 44.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.73 -5.02 6.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.82 102.92 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -106.39 88.74 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.19 -174.98 14.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 9.1 p90 -160.65 161.91 32.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.12 135.65 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.36 -161.72 17.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.173 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 108.64 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.544 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 7.6 mp -110.61 -170.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.573 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -154.3 -172.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.03 -35.74 2.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -61.38 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.2 m -54.77 -33.99 62.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.632 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 3.1 mt -50.82 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -39.12 -30.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.6 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.219 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.632 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 3.4 p90 -91.85 -34.25 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 61' ' ' GLN . 1.2 mm-40 -40.03 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.82 -20.49 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 64' ' ' LEU . 8.6 tp -90.23 21.57 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.437 ' NE2' ' HA ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -62.34 168.97 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.25 14.02 24.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -121.59 -52.23 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -140.1 8.46 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mm -129.59 112.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.376 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -39.5 24.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -152.99 140.76 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 tt -127.39 128.89 70.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -125.35 79.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' HG2' ' CD2' ' A' ' 54' ' ' LEU . 0.7 OUTLIER -68.17 136.81 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.87 13.53 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -73.84 150.35 42.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.574 1.171 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 4.8 tp -128.67 108.54 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.3 t -89.14 66.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.0 m -141.4 -73.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.7 m -41.39 136.45 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -62.01 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.85 -36.17 16.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.79 -168.47 40.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.068 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -98.63 123.04 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -112.4 160.71 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.31 98.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.419 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -106.48 168.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG22 ' CB ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -139.52 162.85 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.44 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 21.4 m-85 -121.12 139.43 53.34 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.9 ptmt -47.83 175.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.45 36.34 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.481 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 17.7 t70 -123.96 -45.57 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.93 151.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -90.9 163.87 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.35 -53.49 55.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -38.67 74.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -46.64 89.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.13 -58.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.51 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 2.4 mtp180 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.99 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -41.89 -40.02 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HD3' ' CB ' ' A' ' 45' ' ' PHE . 25.8 mtmt -64.07 -51.65 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.203 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -51.92 -38.97 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.59 -32.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -64.3 -58.78 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.96 76.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.7 tm-20 -67.85 -71.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.37 -66.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.605 1.191 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.76 171.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.52 176.38 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 110.363 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 11.4 mm -133.05 130.9 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 t -115.12 -29.2 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -160.29 117.16 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.26 166.07 11.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -115.98 87.9 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -88.1 77.19 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.91 155.22 55.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.58 -1.06 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -149.77 120.5 7.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.11 98.64 5.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.14 -170.4 20.03 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 21.7 p90 -156.84 159.58 38.34 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . . . -131.69 128.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -163.53 -159.46 10.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.435 1.085 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.05 109.71 22.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.575 HD22 ' CZ ' ' A' ' 57' ' ' PHE . 7.1 mp -111.57 -169.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.538 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -148.46 -175.69 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.538 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.1 Cg_endo -74.99 -37.91 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -65.46 -55.13 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 2.8 m -56.74 -34.09 67.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 1.4 mt -53.48 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.519 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 87.3 m -37.57 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.62 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.575 ' CZ ' HD22 ' A' ' 49' ' ' LEU . 10.4 p90 -92.38 -3.07 55.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HB2' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -72.44 -76.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.89 -19.66 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.1 tp -86.77 12.13 11.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.251 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.03 169.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.35 13.46 29.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.42 -53.28 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -138.51 11.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.38 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.424 ' CG2' ' HG3' ' A' ' 61' ' ' GLN . 0.6 OUTLIER -131.53 114.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -81.59 -40.55 22.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.6 m -154.36 147.71 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -124.74 137.55 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -132.76 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.504 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -67.11 135.21 53.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -131.58 16.62 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -72.39 151.97 47.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 29.1 mm -122.64 136.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 76.1 t -115.63 -84.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 67.15 150.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 m -41.14 115.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 5.0 m -115.64 -148.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.0 -30.52 39.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.73 -161.55 35.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 2.1 mttm -98.17 148.52 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 15.7 m-85 -137.75 161.81 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.97 99.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -101.85 164.81 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -138.1 168.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.474 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 8.1 m-85 -134.03 143.64 48.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -54.91 178.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.57 36.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.6 t0 -125.12 -43.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.67 148.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -91.15 179.14 5.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -44.75 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.32 -38.07 88.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -45.95 91.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.15 -59.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.51 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.82 -31.67 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -65.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -41.44 -35.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -68.47 -56.38 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.55 -39.32 83.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -47.22 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -71.69 -50.74 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.464 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 2.7 mm -43.98 -42.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.37 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' VAL . 17.0 tp10 -66.11 -71.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -162.28 -70.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.98 169.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.16 -175.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.383 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.468 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 19.7 mm -134.61 131.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -113.97 -29.06 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.88 160.36 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.17 170.32 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.06 104.92 8.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -115.32 58.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 155.52 40.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.65 -12.74 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 113.48 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -115.79 93.87 4.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.08 -170.16 17.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.547 ' CE2' HG22 ' A' ' 8' ' ' VAL . 13.1 p90 -158.16 161.43 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.2 151.89 50.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 -147.24 11.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -107.07 138.69 42.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -141.45 -169.0 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.548 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.31 -174.94 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.96 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -64.03 -52.37 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.9 m -55.74 -37.61 68.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 58' ' ' GLN . 1.9 mt -52.37 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 23.3 m -37.58 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -54.68 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CE2' HD23 ' A' ' 49' ' ' LEU . 11.7 p90 -92.83 7.06 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -90.2 -43.64 10.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.32 -34.94 57.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.61 1.194 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.66 -13.73 44.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -39.0 148.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.14 52.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -113.01 -32.43 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -136.76 8.66 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 109.243 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.45 109.97 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -32.37 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -158.46 153.15 24.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 109.937 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -139.68 139.06 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -134.42 75.43 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 2.7 pm0 -69.09 134.25 49.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -134.99 28.36 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 149.83 51.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -119.95 149.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -94.75 -65.81 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 38.88 86.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 110.452 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 m -93.26 71.83 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.395 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -124.35 -172.03 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.36 -53.85 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.224 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.64 -165.68 38.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -98.23 114.44 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.597 ' CD2' HD13 ' A' ' 54' ' ' LEU . 6.5 m-30 -100.12 165.53 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.57 88.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -94.13 163.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.22 158.2 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 10.3 m-85 -116.91 136.93 52.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.8 ptmt -48.97 176.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -91.89 34.93 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.467 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 49.3 t0 -125.25 -43.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -39.43 153.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.76 161.83 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.02 -50.12 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.81 -38.11 86.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -46.5 89.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.509 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.66 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.416 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 44.9 mtt180 -57.27 -30.73 64.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.29 -67.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -37.74 -46.73 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 6.9 mtmt -62.14 -55.58 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.89 -39.31 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 tp10 -59.41 -35.29 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.1 -38.21 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' HG12 ' A' ' 33' ' ' ILE . 46.3 mm -57.29 -54.87 24.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.13 63.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 3.1 tt0 -50.88 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -159.41 -70.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.74 163.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 175.77 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 0.8 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.49 ' CG2' ' OE2' ' A' ' 36' ' ' GLU . 17.8 mm -127.14 134.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.9 p -113.01 -26.17 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.371 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -163.07 127.7 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' CG2' ' A' ' 33' ' ' ILE . 28.1 mm-40 -95.94 179.4 5.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -135.35 107.89 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.0 69.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -99.8 160.12 28.14 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.67 3.16 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 -12.13 69.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.9 ttt -125.53 117.88 24.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 0.792 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.64 113.16 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.452 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -154.07 -171.18 20.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 1.7 p90 -159.98 160.58 33.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' HB3' ' CG2' ' A' ' 7' ' ' ILE . . . -131.49 133.72 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -169.73 -163.86 24.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 130.98 46.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.587 ' HB2' ' CD2' ' A' ' 6' ' ' PHE . 2.6 mp -140.38 -170.46 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.557 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -143.32 -174.38 0.41 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.557 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.08 -21.34 15.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.28 -51.85 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.61 -40.8 75.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.597 HD13 ' CD2' ' A' ' 6' ' ' PHE . 1.1 mp -55.67 -68.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.8 m -37.61 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.79 -70.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 18.3 p90 -90.0 19.62 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 55' ' ' THR . 3.1 mt-30 -91.58 -76.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.15 -21.06 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp -88.58 16.56 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -54.72 170.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.76 15.01 25.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -121.77 -48.05 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -143.86 10.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mm -132.82 116.88 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' CB ' HG21 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.11 -42.76 13.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.1 m -145.01 152.9 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.412 HD11 ' NE2' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -139.92 120.39 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -119.2 82.62 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -71.59 135.7 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -136.4 40.57 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.363 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.48 152.57 17.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.35 127.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 85.6 t -124.52 -65.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -66.06 96.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.0 t -125.76 -49.56 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -53.06 -173.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.501 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -115.78 52.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -176.37 54.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.8 155.98 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.8 m-85 -135.44 168.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.19 111.65 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.532 HG23 ' CE2' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -121.25 154.82 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.476 ' CD1' ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -134.35 159.71 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 10.4 m-85 -116.58 144.39 44.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -47.74 174.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.34 35.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 57.6 t0 -124.15 -48.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -39.52 148.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.35 179.44 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.944 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 tt0 -71.54 -64.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.241 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' GLU . 5.4 t70 -39.04 -64.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 1.5 mttm -43.84 -45.57 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.88 -58.12 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 15.0 mtm180 -57.14 -31.91 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.3 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -38.1 -38.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -66.7 -55.94 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.46 -39.51 83.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.56 -45.06 62.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -44.43 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.81 -44.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.4 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.36 -72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.74 -71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.23 166.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.08 179.77 5.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.432 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.7 mm -130.81 130.89 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p -115.87 -30.35 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -152.9 160.01 43.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.065 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.42 171.34 13.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -132.07 93.36 3.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -95.96 78.8 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 157.58 40.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -11.17 21.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.6 7.23 4.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 91.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.39 77.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.468 ' CA ' HG21 ' A' ' 9' ' ' ILE . . . -132.97 -171.27 12.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.532 ' CE2' HG23 ' A' ' 8' ' ' VAL . 19.4 p90 -154.42 161.29 41.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.17 150.44 52.15 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.17 -150.77 14.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.49 134.1 42.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.77 -169.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.484 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -153.14 -178.02 0.8 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.02 -23.18 14.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -55.33 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.7 m -55.69 -36.84 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.58 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.4 mp -56.94 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.5 m -37.74 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.81 -69.91 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.58 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 11.1 p90 -89.86 11.34 20.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.511 ' N ' ' O ' ' A' ' 54' ' ' LEU . 10.4 mt-30 -91.33 -58.27 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.93 76.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.7 tp -86.19 -11.25 52.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tt0 -38.44 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.3 -8.14 64.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.48 -33.78 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -142.47 11.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.412 HG23 ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -133.85 118.25 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.419 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -79.75 -44.31 20.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -154.1 145.85 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -126.23 124.69 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.16 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -125.1 77.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.513 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -68.22 128.49 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -123.85 17.36 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -59.98 142.27 47.5 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.8 mm -150.3 123.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.3 t -108.38 -86.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.1 m 40.92 59.19 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -161.68 -68.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m 70.46 171.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.005 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.93 -24.42 16.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.65 -157.31 27.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.12 152.35 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 21.5 m-85 -138.72 159.09 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -139.17 99.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.622 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 1.5 m -107.67 168.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.11 174.61 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' CD2' HG12 ' A' ' 19' ' ' ILE . 6.7 m-85 -134.66 141.76 46.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -49.55 175.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.34 35.61 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.2 t70 -124.19 -45.27 1.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 ' CB ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.42 148.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -91.25 179.67 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -76.0 -49.45 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.28 -45.01 88.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -59.99 -45.72 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.558 HG12 ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -53.72 -57.81 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 1.2 mtt180 -58.01 -31.37 66.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.7 mt-10 -66.21 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' GLU . 86.3 m -37.75 -43.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.401 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -64.3 -55.3 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.33 -39.42 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -37.78 65.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.43 -38.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.414 HD11 ' CG1' ' A' ' 33' ' ' ILE . 2.0 mm -57.05 -40.05 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.48 -41.55 21.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.27 -66.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -167.4 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.576 1.173 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.96 168.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 170.68 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.45 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 3.7 mm -126.83 129.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -111.7 -29.45 7.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.64 159.51 44.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.48 170.1 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -131.89 101.56 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -110.43 58.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.46 161.35 28.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 -10.03 31.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 ttm -126.96 106.03 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -114.13 89.59 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.1 -171.91 14.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.622 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 24.5 p90 -161.05 160.82 31.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.97 147.77 51.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.05 -153.67 18.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 137.47 38.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 0.74 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -140.51 -167.71 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.561 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.05 -173.74 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.94 2.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.97 -59.01 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.551 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.1 m -57.18 -34.41 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.602 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 1.1 mt -49.98 -80.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.9 m -39.2 -32.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.09 -64.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.602 ' CZ ' ' HA ' ' A' ' 54' ' ' LEU . 2.5 p90 -93.21 -13.05 28.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' HG3' ' CD2' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.76 -36.39 67.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.9 -47.83 36.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -85.22 -3.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 0.83 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 36.1 tt0 -39.36 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 90.44 -18.35 49.73 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.565 1.166 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -33.25 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD13 ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.95 11.4 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.85 108.55 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.67 -36.51 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -151.72 152.45 32.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.476 ' CD1' HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -139.51 127.45 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -126.18 76.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.495 ' HB3' ' CE2' ' A' ' 6' ' ' PHE . 1.6 mt-10 -66.01 134.51 53.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.97 16.74 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -83.35 144.55 22.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 1.1 tt -83.32 127.45 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.01 97.39 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m 68.91 118.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -38.56 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' CG2' ' A' ' 50' ' ' THR . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.8 OUTLIER -38.32 135.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.483 ' CB ' HG21 ' A' ' 50' ' ' THR . . . -111.99 -30.31 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 -169.85 42.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -99.19 142.75 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 8.6 m-85 -129.65 167.56 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.46 91.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.567 HG23 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -96.0 163.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.438 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.2 158.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 21.4 m-85 -117.59 142.34 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.9 ptmt -50.87 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.7 35.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' VAL . 4.4 t70 -124.85 -44.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.48 150.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.65 179.99 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -61.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.58 -32.9 52.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -62.14 -46.36 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.28 -57.8 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.495 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 36.9 mtt180 -57.46 -31.52 66.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.34 -65.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.6 m -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -63.75 -55.66 21.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.19 -38.89 59.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.24 78.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -71.86 -40.41 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' N ' HG11 ' A' ' 26' ' ' VAL . 8.9 mm -58.38 -40.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.98 -16.83 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -86.25 -66.89 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -172.27 -56.74 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.06 169.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.31 175.92 9.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.587 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 4.8 mm -137.28 127.54 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -112.04 -27.7 8.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -154.04 158.6 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.05 171.08 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -129.28 115.34 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -120.42 60.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mmt -89.26 154.53 49.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 89.87 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 -12.38 9.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.17 120.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.804 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.57 104.13 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -148.75 -170.71 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 9.6 p90 -163.11 162.41 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.06 135.35 48.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -164.65 -163.49 17.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.6 103.99 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 5.6 mp -105.57 -170.27 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.506 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.46 -177.43 0.73 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.05 -25.53 11.7 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.5 1.789 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -60.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 110.227 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -39.14 56.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.622 HD23 ' CE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -54.97 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.1 m -37.62 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.69 -74.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.622 ' CE1' HD23 ' A' ' 54' ' ' LEU . 34.4 p90 -91.75 27.03 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -86.59 -84.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.12 -21.41 8.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 61' ' ' GLN . 6.6 tp -73.71 -3.82 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -42.92 166.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.85 51.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -121.35 -54.29 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD11 ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -132.67 0.16 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.489 ' N ' HD11 ' A' ' 64' ' ' LEU . 1.7 mm -126.7 116.5 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -151.3 151.95 32.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -140.52 115.17 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.27 98.38 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.503 ' HB3' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -83.39 131.04 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.77 23.75 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.45 18.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.6 mt -139.77 147.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -99.21 84.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -83.72 -62.6 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 m 39.13 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 p 61.93 134.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.969 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -125.82 3.58 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 -170.12 21.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -99.61 145.69 27.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.4 0.706 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.591 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.4 m-85 -130.77 165.85 22.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.21 96.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 ' C ' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -111.68 156.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CD1' ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -133.08 173.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.547 ' CD2' HD13 ' A' ' 64' ' ' LEU . 5.2 m-85 -123.67 153.16 41.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' CD ' ' HB2' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -68.87 -167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -100.93 36.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.509 ' HB2' ' CD ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -126.13 -42.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.522 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -37.7 151.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.42 173.83 7.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -60.85 2.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.35 86.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.76 -58.86 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -56.14 -32.91 64.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -66.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 m -38.98 -40.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.4 -54.78 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -39.59 86.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -55.77 -34.45 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -80.58 -41.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' N ' HG13 ' A' ' 26' ' ' VAL . 2.4 mm -54.36 -49.5 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.9 -52.34 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 9.7 tt0 -47.17 -71.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.51 -70.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -42.72 166.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -130.81 -175.55 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.6 mm -140.11 127.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 t -113.77 -31.33 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.11 159.53 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.03 166.49 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.91 95.0 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -107.14 58.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.14 165.14 15.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 80.83 2.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.26 -3.47 8.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.01 88.05 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -99.16 71.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' CA ' HG21 ' A' ' 9' ' ' ILE . . . -134.47 -169.72 12.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.3 p90 -158.21 165.68 34.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 0.728 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -135.31 139.28 44.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.04 -147.16 7.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 2.6 mt-10 -100.97 138.47 37.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.357 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.591 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 4.8 mp -141.58 -166.24 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.493 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -160.85 -177.79 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.493 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -54.75 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.567 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.28 -38.81 69.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.591 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 3.1 mp -53.4 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -37.74 -30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -57.95 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 2.6 p90 -91.26 9.52 31.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 54' ' ' LEU . 7.9 mt-30 -92.18 -34.92 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.53 19.12 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' CD2' HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.02 -4.37 37.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -39.58 145.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.02 -41.87 2.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.6 1.188 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -101.65 12.67 36.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.547 HD13 ' CD2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -160.4 -48.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.473 HD13 ' CG2' ' A' ' 8' ' ' VAL . 0.9 OUTLIER -91.6 117.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -82.33 -40.85 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 141.13 19.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.464 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 0.4 OUTLIER -126.46 111.13 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -109.04 68.92 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.58 121.09 13.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -116.6 12.54 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.509 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -80.12 150.66 32.38 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' ALA . 24.3 mt -96.84 108.01 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.6 59.77 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' THR . 2.6 m -129.7 -62.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' THR . 4.9 t 37.34 56.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p -68.55 164.09 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 50' ' ' THR . . . -102.84 -14.03 16.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.19 -165.95 28.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.406 1.066 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 55.1 mttt -99.01 141.79 31.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 4.2 m-85 -129.3 165.96 20.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.41 103.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.83 160.81 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -140.56 155.15 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.5 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 47.3 m-85 -114.63 149.67 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' CG ' ' A' ' 66' ' ' ASP . 11.1 ptmt -51.57 -177.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.48 36.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -127.49 -45.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -39.24 148.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -91.43 178.98 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -56.07 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -46.8 -45.56 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.503 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -51.97 -58.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.85 -32.84 66.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.4 mt-10 -65.01 -65.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -38.85 -39.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.36 -56.03 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.47 -39.86 85.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -51.02 -41.54 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -38.59 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.0 mm -55.35 -57.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.55 94.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.59 -70.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.73 -66.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.8 167.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.04 177.78 7.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 0.749 . . . . 0.0 110.426 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.5 mm -134.73 127.5 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -111.75 -28.99 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -151.51 155.42 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.61 167.32 20.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.07 84.72 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -87.66 79.64 8.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.03 171.78 4.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.46 0.19 89.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.587 1.179 . . . . 0.0 110.974 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.13 110.27 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 89.64 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -146.59 -170.84 15.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.0 p90 -156.01 163.34 39.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.499 0.764 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.42 136.27 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -170.25 -160.4 18.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.52 107.7 19.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 7.5 mp -107.96 -169.66 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.575 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.71 -172.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.575 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.05 -37.19 2.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.11 -61.48 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.2 m -54.46 -34.3 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.646 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 3.9 mt -50.1 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 m -39.0 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.92 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.646 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 1.2 p90 -91.77 -25.22 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.72 -41.39 61.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.86 -47.52 7.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 21.7 tp -65.25 -12.34 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -43.5 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.226 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' N ' HE21 ' A' ' 61' ' ' GLN . . . 88.81 -37.31 3.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.61 23.63 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.546 ' CD2' ' CD2' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -160.3 -61.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 57' ' ' PHE . 1.5 mt -94.05 130.44 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -84.74 -44.48 13.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -149.68 135.52 18.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -114.49 130.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -125.86 72.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HG2' ' CD2' ' A' ' 54' ' ' LEU . 3.4 mt-10 -63.89 130.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.16 29.8 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.42 -73.29 1.18 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -79.94 115.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.87 125.05 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.4 m -51.61 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -141.84 124.01 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' GLY . 5.3 m 49.39 -178.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.947 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' CB ' HG21 ' A' ' 50' ' ' THR . . . -95.34 -5.66 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -174.87 23.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -98.87 134.3 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.378 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 5.1 m-85 -120.66 167.99 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.3 90.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.6 m -95.34 165.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.243 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -140.13 163.66 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.516 ' HB3' ' CG1' ' A' ' 14' ' ' VAL . 3.1 m-85 -126.33 149.42 49.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HA ' ' CG ' ' A' ' 66' ' ' ASP . 13.8 ptmt -60.1 176.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -92.25 36.36 0.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.2 m-20 -128.93 -41.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -35.61 147.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.04 160.65 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.21 -51.74 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -46.33 90.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.502 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -55.1 -59.01 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.2 mtt180 -55.98 -31.04 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.68 -67.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -42.57 -40.76 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.92 -50.61 61.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.8 -41.04 94.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.03 -43.37 66.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' CG2' ' OG ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -71.17 -40.0 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mm -53.2 -55.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.6 88.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.97 -75.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -157.35 -72.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.449 1.093 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.89 164.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -134.19 -173.6 3.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 5.3 mm -138.86 127.68 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -112.92 -31.8 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -145.34 160.11 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.15 169.75 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.86 90.28 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -97.69 72.44 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 157.45 34.09 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 95.82 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.98 -13.2 22.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 ttt -127.81 119.83 26.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 86.71 2.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.49 -173.38 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.7 p90 -168.84 163.64 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.06 146.79 52.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 175.07 -145.16 7.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.19 140.01 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.576 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 12.3 mt -141.91 -169.37 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.518 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -161.2 -176.39 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.07 -31.04 6.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.568 1.826 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -55.5 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.51 ' OG ' ' CG2' ' A' ' 26' ' ' VAL . 0.4 OUTLIER -54.65 -39.71 68.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 58' ' ' GLN . 2.2 mt -51.43 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.7 m -38.36 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -55.06 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 68' ' ' ILE . 9.9 p90 -91.93 5.5 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.9 mm100 -90.79 122.02 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.082 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.81 -41.22 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.415 1.072 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -77.45 -0.71 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -39.55 157.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.16 -19.71 33.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' HB3' ' CD1' ' A' ' 60' ' ' LEU . 1.8 t0 -117.86 -6.0 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 2.2 tp -157.53 -54.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.443 HG21 ' CD1' ' A' ' 68' ' ' ILE . 46.4 mm -89.76 117.1 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -85.1 -31.1 23.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -165.88 135.02 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -114.7 142.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -136.58 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.82 137.42 57.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -136.23 15.63 3.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . -76.71 -69.9 1.34 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.12 127.61 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.1 t -122.57 146.04 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.0 m -144.47 61.77 1.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.6 p -126.4 155.26 42.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 168.09 118.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.611 ' O ' ' CE1' ' A' ' 6' ' ' PHE . . . -142.64 70.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.1 -178.32 0.59 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.52 127.63 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 3' ' ' ALA . 12.0 m-30 -102.87 163.96 11.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.46 HG23 ' CB ' ' A' ' 46' ' ' ALA . 5.6 pt -140.76 94.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.699 ' CG2' ' CE2' ' A' ' 45' ' ' PHE . 10.3 m -99.15 157.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.71 167.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' CD2' HG13 ' A' ' 19' ' ' ILE . 8.2 m-85 -129.64 140.48 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 66' ' ' ASP . 14.4 ptmt -50.61 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -95.5 35.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.17 152.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 p -90.6 173.88 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.62 -44.04 44.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -40.34 94.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 6.6 mtpt -60.37 -46.22 90.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.624 1.202 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.93 -59.0 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 34.8 mtt180 -56.41 -31.39 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -66.69 -67.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 m -39.96 -37.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -67.0 -56.48 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.61 -39.51 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.57 -40.44 65.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -77.64 -47.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.437 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 1.9 mm -48.04 -40.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.96 -46.58 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.4 -70.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.55 -70.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.8 166.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 -179.67 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.398 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 25.4 mm -130.06 133.13 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.0 t -114.47 -26.34 7.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.364 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -159.54 163.81 34.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.49 167.15 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.44 90.52 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.19 54.85 1.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.41 ' HB2' ' CB ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -88.47 165.29 28.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.69 20.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.6 3.5 5.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.41 ' CB ' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -135.56 92.07 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.937 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -100.69 70.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -137.85 -169.06 11.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.699 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 9.7 p90 -153.91 165.35 36.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 7' ' ' ILE . . . -132.48 160.56 36.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.15 -154.64 25.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.97 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.582 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.23 -168.1 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.546 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -158.41 -175.2 0.49 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.546 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.99 -24.67 12.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.581 1.832 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -61.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.482 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.597 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -53.76 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.495 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.4 m -37.28 -30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.88 -71.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.597 ' CE1' HD23 ' A' ' 54' ' ' LEU . 23.8 p90 -92.78 14.28 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -90.3 -46.65 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -29.95 62.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -90.22 -21.12 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -38.69 158.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 99.69 -23.27 36.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.92 -28.18 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -134.05 1.04 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.48 ' N ' HD11 ' A' ' 64' ' ' LEU . 1.3 mm -131.67 112.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.422 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -80.62 -43.48 20.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.461 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 2.8 m -137.77 149.72 46.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 0.9 OUTLIER -141.0 109.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 99.45 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 6' ' ' PHE . 4.4 mp0 -104.89 120.32 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -112.81 66.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.27 -60.42 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.19 84.88 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' THR . 80.8 t -102.43 -64.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -38.39 106.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -97.03 81.57 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -98.3 171.21 8.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.052 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 50' ' ' THR . . . -88.06 -7.48 56.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.29 -164.57 28.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -98.88 140.91 32.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 6.9 m-85 -132.57 153.9 50.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.513 ' CG2' ' CB ' ' A' ' 46' ' ' ALA . 11.8 pt -140.38 103.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.47 164.04 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.504 ' N ' ' CG2' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -132.79 173.32 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.571 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.8 m-85 -122.0 156.78 32.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.8 ptmt -50.71 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -98.56 37.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 13.6 t0 -131.57 -44.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -38.77 150.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 p -91.74 177.61 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.78 -40.3 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.98 -61.17 2.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -51.3 -45.42 62.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.4 -58.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.379 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.492 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -55.99 -32.73 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.06 -66.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.391 1.057 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -43.63 -37.14 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -65.72 -51.01 62.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.48 -40.88 98.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.5 mt-10 -54.07 -41.12 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -76.18 -39.88 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.477 HD11 ' CG1' ' A' ' 33' ' ' ILE . 1.9 mm -49.73 -55.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -72.76 -57.97 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -37.83 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -154.96 -73.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.23 170.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.99 -175.79 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' CG1' HD11 ' A' ' 27' ' ' ILE . 4.8 mm -137.93 125.21 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -115.4 -32.08 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -152.9 108.51 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.09 165.61 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 46' ' ' ALA . 25.4 m-85 -118.62 81.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -83.39 80.25 9.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.78 160.84 54.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.41 4.75 73.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 95.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' HG21 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -107.13 82.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.467 ' CA ' HG21 ' A' ' 9' ' ' ILE . . . -140.18 -170.69 12.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 4.4 p90 -148.21 160.77 42.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.513 ' CB ' ' CG2' ' A' ' 7' ' ' ILE . . . -138.38 122.97 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.03 -133.18 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -116.25 141.05 48.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 1.1 mt -141.72 -167.77 2.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.55 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -154.35 -174.19 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.438 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.55 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.04 -34.29 3.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.45 -58.49 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.8 OUTLIER -54.71 -35.3 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.641 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.8 mp -51.86 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -38.14 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -54.45 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.641 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 1.7 p90 -88.34 -2.33 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.7 mm-40 -81.32 120.3 24.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.91 -28.6 9.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.35 -8.66 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.48 ' HG2' ' CG2' ' A' ' 65' ' ' ILE . 7.2 mt-30 -39.98 147.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.65 -23.32 16.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -4.36 10.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 0.715 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 10' ' ' PHE . 1.2 tp -159.94 -65.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 57' ' ' PHE . 3.1 mt -79.6 126.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.454 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -92.37 -40.2 11.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -152.47 135.46 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.597 HD13 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -122.0 125.17 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.61 72.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 1.9 pp20? -69.03 131.54 45.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 27.96 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -94.84 148.9 19.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.8 mt -141.71 142.22 28.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -115.24 -80.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -48.38 138.8 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -96.61 -54.11 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -70.89 -141.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.482 ' CB ' HG22 ' A' ' 50' ' ' THR . . . -92.66 24.8 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.79 -172.4 14.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -104.25 145.44 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.253 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.3 m-85 -129.15 164.38 23.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -139.61 101.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.557 ' CG2' ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.06 155.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.453 ' CD1' ' HE3' ' A' ' 42' ' ' MET . 0.7 OUTLIER -132.0 170.23 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.452 ' CE2' HG12 ' A' ' 19' ' ' ILE . 5.1 m-85 -130.19 141.29 50.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -52.21 174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.0 36.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.8 t70 -124.79 -43.09 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -39.83 153.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -90.82 163.31 14.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -65.26 -46.33 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.85 -40.81 94.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -60.79 -45.97 92.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.38 -58.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 7.6 mtt180 -56.38 -30.82 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.03 -67.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -41.19 -35.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -67.86 -54.97 14.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.41 -42.7 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -70.57 -40.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -55.03 -55.31 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.34 -72.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -164.35 -70.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.66 164.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.93 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.58 128.76 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -113.56 -31.39 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -146.67 111.21 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 166.86 11.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -120.67 86.6 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -93.07 75.81 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.87 170.77 5.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.28 -1.79 88.56 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.453 ' HE3' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.94 133.62 44.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.584 0.814 . . . . 0.0 110.991 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -142.69 88.63 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -155.24 -168.65 18.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE1' ' CG2' ' A' ' 8' ' ' VAL . 32.3 p90 -159.91 159.59 32.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.56 136.05 48.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.24 -154.04 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -100.87 121.45 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.581 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 6.6 mp -122.47 -169.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.524 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.8 -176.02 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.91 -27.93 9.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -61.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -50.34 -39.96 47.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 57' ' ' PHE . 1.8 mt -51.8 -71.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 79.6 m -36.93 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -58.22 -71.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.579 ' CE1' HD21 ' A' ' 54' ' ' LEU . 20.0 p90 -93.08 17.26 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.8 mt-30 -90.2 -45.64 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.26 -35.48 29.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.72 -20.0 43.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 5.0 tt0 -39.08 147.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 106.99 -21.85 30.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -108.67 -27.81 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -136.07 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 64' ' ' LEU . 1.2 mm -135.3 118.29 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' CB ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -81.47 -47.04 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -144.69 154.84 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.441 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -134.96 116.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -113.28 73.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' ' CD1' ' A' ' 54' ' ' LEU . 2.6 mt-10 -67.26 132.26 47.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.11 28.62 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.543 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -76.46 142.12 27.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -147.05 156.51 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.6 t -116.02 70.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.95 142.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -54.46 142.42 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.427 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.468 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.18 -168.13 20.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 11.3 ttpt -99.4 146.94 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.3 m-85 -132.49 168.33 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -140.47 108.13 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG22 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.56 159.72 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -137.44 152.74 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.958 ' HB3' HG11 ' A' ' 14' ' ' VAL . 59.3 m-85 -113.65 139.96 48.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -49.02 177.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.54 34.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 38.1 t0 -124.88 -41.91 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.958 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.17 153.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.86 168.08 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -56.19 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.83 -33.17 68.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.64 -46.4 89.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -54.64 -58.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.8 mtp180 -56.25 -30.55 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.11 -67.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -42.62 -46.59 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HD2' ' CD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.76 -47.43 83.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.62 -39.4 91.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.22 -34.31 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -78.94 -37.43 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -59.55 -50.37 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.88 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -53.3 -70.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -163.98 -68.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.56 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.1 -177.78 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 110.386 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.588 HD12 ' CD2' ' A' ' 45' ' ' PHE . 5.7 mm -132.45 131.96 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 47' ' ' GLY . 7.0 t -114.02 -29.32 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ALA . 5.0 t-20 -151.77 161.96 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.38 99.64 5.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -106.2 70.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.87 161.5 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 104.49 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.33 60.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.9 ttm -123.07 117.14 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.78 ' HB3' HD11 ' A' ' 19' ' ' ILE . 15.9 mtmm -121.15 92.72 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.23 -172.95 13.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.714 ' CE1' HG22 ' A' ' 8' ' ' VAL . 29.5 p90 -164.98 161.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.58 142.84 49.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 179.79 -149.04 8.34 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.909 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.2 mt-10 -102.08 130.72 48.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 48' ' ' GLU . 7.7 mp -135.09 -169.2 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.694 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.27 -175.52 0.52 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.694 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.03 -29.11 8.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.576 1.829 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -61.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -37.48 46.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.609 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 mp -53.05 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m -37.12 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.04 -71.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.24 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.713 ' CE1' HD11 ' A' ' 68' ' ' ILE . 6.3 p90 -90.71 16.75 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -91.5 -38.88 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.62 -42.57 7.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.777 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -70.43 -7.14 40.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -43.22 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.8 -41.93 3.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.83 23.73 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 60' ' ' LEU . 3.4 tp -160.13 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 68' ' ' ILE . 1.5 mt -93.9 126.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.28 -40.43 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 m -147.34 138.67 23.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -125.09 132.38 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -137.32 102.66 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.462 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -87.22 134.14 33.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -127.48 15.66 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.49 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 -165.57 13.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 8.4 ptmm? -98.91 155.7 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 18.9 m-85 -138.08 166.32 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.35 93.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.736 HG22 ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -103.0 160.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -139.4 150.58 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.929 ' HB3' HG11 ' A' ' 14' ' ' VAL . 48.3 m-85 -108.99 145.02 36.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.2 ptmt -51.34 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -96.61 35.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.72 -45.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.929 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.64 150.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 p -91.07 165.05 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -47.09 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.2 -38.94 93.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.93 91.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.67 -58.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 84.4 mtt-85 -57.36 -30.55 64.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.62 -66.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -38.76 -40.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -63.73 -55.6 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.99 -42.35 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.19 -38.55 58.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.46 -42.13 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.554 HD11 ' CG1' ' A' ' 33' ' ' ILE . 6.2 mm -50.27 -52.17 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.16 -58.21 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.2 tp10 -38.62 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -165.84 -67.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.34 164.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -130.31 179.48 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.433 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.613 HD12 ' CD2' ' A' ' 45' ' ' PHE . 19.8 mm -136.04 128.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.444 HG22 ' HA2' ' A' ' 47' ' ' GLY . 7.1 t -113.31 -29.66 7.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -152.38 162.56 41.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -137.24 167.67 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 79.4 m-85 -128.25 91.03 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.87 78.44 5.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.454 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.1 OUTLIER -107.13 172.43 3.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.56 -4.28 85.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 7.8 ttm -125.39 126.44 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 19' ' ' ILE . 39.0 mttp -134.95 94.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -145.36 -171.05 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.736 ' CE1' HG22 ' A' ' 8' ' ' VAL . 30.0 p90 -158.68 160.26 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -130.33 140.3 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' HA2' HG22 ' A' ' 34' ' ' THR . . . -179.55 -149.35 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.96 135.47 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.678 HD22 ' HZ ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -141.94 -169.0 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.69 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.46 -175.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.69 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -70.84 -57.17 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.5 m -55.06 -37.03 66.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.039 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.575 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.7 mp -54.17 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 10.9 m -37.79 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.38 -69.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.806 ' HE1' HD11 ' A' ' 68' ' ' ILE . 8.2 p90 -91.29 5.44 49.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.571 ' HG2' HD13 ' A' ' 68' ' ' ILE . 4.8 mt-30 -91.24 -37.32 13.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.22 -29.58 64.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -95.51 -0.41 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' LEU . 1.3 tt0 -39.91 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.2 -43.39 3.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.09 14.66 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.738 ' CD2' HD21 ' A' ' 60' ' ' LEU . 17.7 tp -157.91 -70.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.701 HG21 HD12 ' A' ' 68' ' ' ILE . 20.4 mm -80.52 126.68 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.91 -40.91 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 m -152.24 135.8 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.806 HD11 ' HE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -115.11 133.03 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -126.23 71.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 15.7 tt0 -64.16 123.79 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -120.51 8.95 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.52 -160.35 32.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 27.4 mtmt -98.11 119.71 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.815 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -109.93 160.35 16.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.64 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.38 109.16 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.733 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -110.89 166.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.58 162.47 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.868 ' HB3' HG11 ' A' ' 14' ' ' VAL . 15.3 m-85 -124.01 137.93 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.3 ptmt -49.46 177.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -93.49 34.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 20.2 t70 -123.94 -43.59 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.868 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.94 152.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -90.56 163.41 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -52.91 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -36.9 72.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -61.44 -46.39 90.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.589 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.51 -58.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.363 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.589 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -56.72 -31.46 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.81 -66.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -38.66 -36.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.08 -58.2 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -38.55 81.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -38.77 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -75.69 -38.56 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.73 -50.86 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.31 75.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -69.76 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.98 -67.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.32 163.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.89 164.17 25.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' CD1' ' A' ' 45' ' ' PHE . 24.9 mm -120.56 124.83 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.9 p -111.21 -31.16 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.09 157.82 43.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.63 1.206 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -133.68 166.93 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -125.87 94.26 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -96.46 77.55 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -110.11 153.78 43.08 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.152 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.55 12.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.92 -9.5 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -143.13 143.16 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 0.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB3' HD11 ' A' ' 19' ' ' ILE . 24.8 mmtt -139.08 92.33 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.59 -171.09 15.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.589 1.181 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.733 ' CE2' HG22 ' A' ' 8' ' ' VAL . 23.6 p90 -156.29 163.7 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.64 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . . . -131.98 149.17 52.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 174.84 -157.53 24.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.24 123.86 43.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.805 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 8.0 mp -129.07 -170.46 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.33 -174.47 0.41 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.726 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.33 -58.53 5.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.451 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 3.1 m -55.52 -32.33 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.066 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.801 HD23 ' CE1' ' A' ' 57' ' ' PHE . 5.9 mt -54.03 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -39.94 -31.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -67.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.805 ' HZ ' HD23 ' A' ' 49' ' ' LEU . 10.9 p90 -91.3 -40.83 11.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -46.82 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.58 -21.37 4.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.076 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 64' ' ' LEU . 14.6 tp -90.82 22.27 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.528 ' NE2' ' HG2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -59.34 167.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 13.07 43.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.442 1.089 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.47 -61.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.661 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -130.89 5.74 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.694 HD12 HD12 ' A' ' 68' ' ' ILE . 0.7 OUTLIER -124.08 114.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -37.89 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.0 m -153.91 148.29 26.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.75 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -133.77 132.89 56.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.96 81.04 1.97 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -75.37 133.77 41.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.96 22.82 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.561 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.537 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.12 -170.31 30.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 22.0 mttt -104.55 155.27 18.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 7.6 m-85 -137.12 165.83 25.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mt -140.58 96.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -105.99 163.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -137.55 176.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.95 ' HB3' HG11 ' A' ' 14' ' ' VAL . 64.5 m-85 -136.33 143.24 44.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -50.2 178.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.92 34.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 16.9 t70 -124.8 -43.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.95 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.31 152.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.257 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.73 175.11 7.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -53.09 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -58.21 -36.86 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -46.23 91.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.584 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.71 -58.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.584 ' N ' HG22 ' A' ' 19' ' ' ILE . 23.8 mtt180 -56.79 -30.65 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.78 -66.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.9 m -39.2 -41.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -62.92 -54.29 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.44 -39.65 76.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -41.25 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -42.96 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.19 -41.47 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.09 -40.08 28.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.64 -66.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.78 -65.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.82 166.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.72 -179.35 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -136.01 129.77 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.3 p -110.93 -31.04 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.187 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -150.98 161.78 42.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -134.24 167.38 20.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.82 94.96 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -99.17 76.1 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.9 mtt -112.76 155.45 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.54 15.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.78 -15.06 15.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 ttm -136.58 132.2 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.47 89.85 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -150.75 -167.67 14.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 7.4 p90 -153.1 167.15 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.09 139.21 39.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.88 -146.08 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.88 136.45 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -142.08 -166.57 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -154.23 -179.85 1.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.58 -55.06 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.492 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -52.46 -43.03 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.931 HD21 ' HB2' ' A' ' 70' ' ' GLU . 2.0 mp -52.25 -70.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.6 m -37.74 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -58.53 -69.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.793 ' CE1' HD11 ' A' ' 68' ' ' ILE . 14.8 p90 -90.87 10.16 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.916 ' HG2' HD13 ' A' ' 68' ' ' ILE . 4.0 mt-30 -91.17 -52.48 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.35 97.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -8.51 59.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 6.5 tt0 -39.86 148.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.01 54.75 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -126.9 4.21 6.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 4.3 tp -152.04 -48.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.608 HG21 HD12 ' A' ' 68' ' ' ILE . 20.3 mm -99.0 123.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -85.57 -35.89 20.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -153.16 136.38 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.916 HD13 ' HG2' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -119.83 114.5 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -112.14 67.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.931 ' HB2' HD21 ' A' ' 54' ' ' LEU . 12.4 tt0 -61.66 126.85 28.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.2 19.01 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.394 1.059 . . . . 0.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 -162.03 23.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 13.2 mttm -98.31 153.67 18.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 20.5 m-85 -139.66 161.71 36.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mt -140.45 101.66 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -110.94 162.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -137.35 164.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.918 ' HB3' HG11 ' A' ' 14' ' ' VAL . 56.7 m-85 -124.16 146.68 48.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.0 ptmt -52.01 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.37 35.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' VAL . 3.2 m-20 -125.36 -44.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.918 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.4 146.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.3 p -91.34 166.74 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -47.05 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -59.84 -42.38 93.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -46.83 88.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.585 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.36 -58.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.585 ' N ' HG22 ' A' ' 19' ' ' ILE . 22.5 mtt180 -56.77 -30.59 63.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.92 -67.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 m -41.01 -40.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.49 -53.8 42.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -39.43 85.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -55.71 -36.04 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -79.19 -38.43 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 32' ' ' THR . 1.7 mm -57.3 -51.32 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.5 -49.85 30.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 26.8 tt0 -49.06 -68.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.94 -69.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -44.48 169.77 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.508 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -140.01 174.6 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.388 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.729 HD12 ' CD1' ' A' ' 45' ' ' PHE . 39.9 mm -125.7 129.3 72.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -112.56 -30.68 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.12 161.05 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -134.86 167.79 20.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.85 96.07 4.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -92.76 79.56 4.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.45 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -99.75 170.7 6.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 0.91 75.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.45 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -130.49 136.31 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -139.24 97.84 3.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.43 -171.86 12.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.729 ' CD1' HD12 ' A' ' 33' ' ' ILE . 24.4 p90 -158.09 163.64 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.99 145.22 49.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 178.72 -149.4 8.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -105.87 129.65 53.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -135.47 -168.88 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.734 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -153.75 -173.65 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.734 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.99 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.0 -61.19 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 2.2 m -55.88 -34.15 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.1 mt -52.46 -81.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -38.8 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.51 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.838 ' CE1' HD11 ' A' ' 68' ' ' ILE . 9.8 p90 -92.72 -8.27 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.669 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -74.88 -40.09 61.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.17 -53.27 43.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD21 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.76 -2.19 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.358 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 17.9 tt0 -39.77 146.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 61' ' ' GLN . . . 99.57 -27.77 18.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.63 2.95 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.728 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.7 tp -151.97 -46.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.85 HG21 HD12 ' A' ' 68' ' ' ILE . 25.9 mm -98.89 119.1 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.1 -38.93 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -148.56 136.78 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.85 HD12 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -121.12 120.19 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -121.28 70.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 126.75 28.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -124.5 19.36 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.093 0 O-C-N 124.535 1.147 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.23 -161.27 33.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 77.4 mttt -97.78 113.06 24.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.381 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.646 ' HE2' HD11 ' A' ' 54' ' ' LEU . 5.9 m-85 -102.57 164.33 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.46 98.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.668 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -101.78 164.85 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.642 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -139.71 174.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.934 ' HB3' HG11 ' A' ' 14' ' ' VAL . 17.5 m-85 -134.14 142.69 47.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -54.71 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.86 36.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -124.54 -45.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.934 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.78 149.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.01 -178.03 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.33 -57.45 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -33.8 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' A' ' 14' ' ' VAL . 11.7 mptt -62.24 -46.02 90.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.1 -57.62 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.8 mtp180 -58.29 -32.84 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.4 mt-10 -64.18 -64.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.449 HG21 ' HE1' ' A' ' 10' ' ' PHE . 24.1 m -38.72 -45.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -62.73 -53.41 54.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -39.47 74.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -43.86 64.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -50.29 -43.0 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.95 -24.02 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -76.09 -71.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.35 -70.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.79 168.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.453 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -138.17 -179.68 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.395 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.8 HD12 ' CD1' ' A' ' 45' ' ' PHE . 14.8 mm -123.89 133.25 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.462 HG22 ' HA2' ' A' ' 47' ' ' GLY . 6.4 t -114.13 -26.36 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 46' ' ' ALA . 1.1 m-80 -155.23 163.69 39.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.177 . . . . 0.0 109.202 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -134.26 169.68 16.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.633 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 78.5 m-85 -128.04 90.92 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -90.29 79.73 6.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.08 164.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -65.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 1.17 76.24 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.497 1.123 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.13 133.87 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 0.764 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 94.93 2.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.47 -168.45 13.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.8 ' CD1' HD12 ' A' ' 33' ' ' ILE . 17.6 p90 -155.77 161.31 40.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -127.96 153.35 46.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 169.14 -158.74 31.44 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.4 tt0 -99.23 136.99 38.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 48' ' ' GLU . 2.8 mp -141.18 -168.0 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.731 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.45 -174.39 0.4 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.456 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.731 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.0 -33.62 4.44 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.17 -52.04 51.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -58.26 -36.64 73.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.682 HD23 ' CE1' ' A' ' 57' ' ' PHE . 7.4 mt -52.37 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -39.48 -32.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -49.77 -68.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 68' ' ' ILE . 12.5 p90 -91.0 -41.24 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.57 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -53.48 -38.1 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -54.47 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -79.0 1.79 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' PHE . 45.9 tt0 -39.28 158.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 87.84 -0.74 84.73 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 60' ' ' LEU . 9.2 t70 -117.15 -44.77 2.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -131.66 2.25 4.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 68' ' ' ILE . 2.0 mm -120.08 115.22 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -84.6 -36.02 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.6 m -157.34 151.35 24.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -140.13 133.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.43 81.64 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.3 tt0 -70.95 132.93 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -133.35 12.43 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.46 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.571 1.17 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.88 -169.59 34.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 12.8 mttt -97.35 115.55 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.594 ' CD2' ' HA ' ' A' ' 70' ' ' GLU . 5.5 m-85 -103.81 158.93 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.763 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -139.94 85.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.621 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.52 161.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -140.26 153.83 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.938 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.7 m-85 -113.86 145.98 40.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.4 ptmt -50.47 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.4 1.062 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -96.4 35.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.464 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 50.7 t0 -125.42 -44.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.938 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -37.73 151.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -91.14 161.81 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -51.91 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -40.04 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -61.79 -46.8 88.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.44 -58.56 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.2 mtt180 -56.62 -32.25 65.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -66.31 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.2 m -39.36 -37.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.54 -56.9 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.8 70.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.35 -39.36 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -41.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.61 -42.56 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.7 -47.33 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.78 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -170.73 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.22 167.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.412 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -139.84 169.83 17.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.396 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.6 mm -130.29 125.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 p -108.17 -31.15 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.63 156.95 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.95 170.33 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -134.1 87.08 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.01 58.38 5.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.78 166.32 36.56 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.935 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 39' ' ' MET . 18.1 Cg_endo -74.94 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.54 4.13 75.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -140.03 123.98 17.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 0.794 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.94 -171.83 13.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.757 ' CD1' HD12 ' A' ' 33' ' ' ILE . 23.2 p90 -159.56 162.51 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.763 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.23 133.82 45.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.86 -160.59 15.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.99 111.53 23.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.677 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 7.3 mp -115.0 -170.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.702 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -148.19 -175.85 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.702 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -52.5 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -53.75 -41.43 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.866 HD13 ' OE1' ' A' ' 58' ' ' GLN . 1.1 mt -51.4 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 90.1 m -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.1 -72.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.837 ' CE1' HD11 ' A' ' 68' ' ' ILE . 14.0 p90 -92.1 10.98 26.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.866 ' OE1' HD13 ' A' ' 54' ' ' LEU . 3.7 mt-30 -90.5 -46.73 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.44 60.54 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -73.78 -5.97 44.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.725 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 23.3 tt0 -39.19 152.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.59 -33.65 6.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.34 14.91 19.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.506 ' HB3' HD11 ' A' ' 60' ' ' LEU . 8.4 tp -159.72 -44.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.893 HG21 HD12 ' A' ' 68' ' ' ILE . 16.3 mm -106.14 124.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.68 -36.28 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -153.53 134.25 13.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.893 HD12 HG21 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.21 115.84 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.74 63.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.808 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -65.73 132.89 49.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.02 28.19 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -167.3 32.04 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 10.0 ttpt -99.95 142.68 31.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.2 m-85 -129.81 165.95 20.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -138.38 104.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.08 165.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.589 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -137.92 171.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.928 ' HB3' HG11 ' A' ' 14' ' ' VAL . 9.1 m-85 -130.76 139.28 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.7 ptmt -50.0 177.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.0 34.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.469 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 29.9 t70 -124.49 -43.57 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.928 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.98 148.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -91.2 169.62 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 -53.11 46.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.9 -38.77 79.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.25 -46.59 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -52.7 -58.61 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' N ' HG22 ' A' ' 19' ' ' ILE . 13.9 mtt-85 -57.08 -32.65 66.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.1 mt-10 -65.12 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 m -38.83 -42.11 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 26' ' ' VAL . 21.5 mtmt -65.48 -55.69 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -39.31 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.89 67.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -73.65 -36.54 47.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.2 mm -58.55 -57.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.14 96.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.79 -66.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -169.46 -68.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.59 168.3 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.667 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -137.67 176.19 8.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.445 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' A' ' 45' ' ' PHE . 30.7 mm -131.32 129.77 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -113.06 -28.7 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -150.58 158.17 43.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -133.84 166.02 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.42 100.07 6.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.89 59.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.93 156.49 44.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.73 -5.02 6.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.82 102.92 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.632 ' HB3' HD11 ' A' ' 19' ' ' ILE . 30.2 mttm -106.39 88.74 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.19 -174.98 14.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 8' ' ' VAL . 9.1 p90 -160.65 161.91 32.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.12 135.65 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.36 -161.72 17.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.173 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 108.64 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.583 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 7.6 mp -110.61 -170.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.74 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -154.3 -172.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.74 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.03 -35.74 2.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -64.56 -61.38 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.2 m -54.77 -33.99 62.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.924 HD21 ' HG2' ' A' ' 70' ' ' GLU . 3.1 mt -50.82 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -39.12 -30.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.6 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.219 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.714 ' HE1' HD23 ' A' ' 54' ' ' LEU . 3.4 p90 -91.85 -34.25 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.857 ' HG3' HD22 ' A' ' 54' ' ' LEU . 1.2 mm-40 -40.03 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.82 -20.49 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD23 ' CD1' ' A' ' 64' ' ' LEU . 8.6 tp -90.23 21.57 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -62.34 168.97 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.25 14.02 24.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -121.59 -52.23 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.1 8.46 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.51 HD12 HD12 ' A' ' 68' ' ' ILE . 1.3 mm -129.59 112.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -39.5 24.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -152.99 140.76 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 57' ' ' PHE . 1.4 tt -127.39 128.89 70.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -125.35 79.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.924 ' HG2' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -68.17 136.81 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.87 13.53 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.574 1.171 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.467 ' HB2' HG22 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.79 -168.47 40.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.068 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -98.63 123.04 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.548 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -112.4 160.71 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.31 98.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.668 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -106.48 168.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.52 162.85 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.92 ' HB3' HG11 ' A' ' 14' ' ' VAL . 21.4 m-85 -121.12 139.43 53.34 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.9 ptmt -47.83 175.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.45 36.34 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.482 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 17.7 t70 -123.96 -45.57 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.92 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.93 151.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -90.9 163.87 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.35 -53.49 55.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -38.67 74.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HB3' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -60.96 -46.64 89.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.804 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -53.13 -58.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 2.4 mtp180 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.99 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -41.89 -40.02 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 45' ' ' PHE . 25.8 mtmt -64.07 -51.65 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.203 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -51.92 -38.97 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -73.59 -32.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.745 HD13 ' HA ' ' A' ' 32' ' ' THR . 3.0 mm -64.3 -58.78 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.96 76.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.7 tm-20 -67.85 -71.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.37 -66.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.605 1.191 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.76 171.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.745 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -138.52 176.38 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 11.4 mm -133.05 130.9 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.514 HG23 ' OD1' ' A' ' 35' ' ' ASN . 6.5 t -115.12 -29.2 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' OD1' HG23 ' A' ' 34' ' ' THR . 9.5 m120 -160.29 117.16 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -96.26 166.07 11.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -115.98 87.9 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -88.1 77.19 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.91 155.22 55.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.58 -1.06 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -149.77 120.5 7.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.804 ' HB3' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -123.11 98.64 5.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.14 -170.4 20.03 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.668 ' CE2' HG22 ' A' ' 8' ' ' VAL . 21.7 p90 -156.84 159.58 38.34 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.69 128.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -163.53 -159.46 10.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.435 1.085 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.05 109.71 22.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.766 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 7.1 mp -111.57 -169.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.581 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -148.46 -175.69 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.1 Cg_endo -74.99 -37.91 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -65.46 -55.13 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 2.8 m -56.74 -34.09 67.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.967 HD22 ' HG3' ' A' ' 58' ' ' GLN . 1.4 mt -53.48 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.478 ' CA ' ' HB2' ' A' ' 58' ' ' GLN . 87.3 m -37.57 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.62 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.766 ' CZ ' HD23 ' A' ' 49' ' ' LEU . 10.4 p90 -92.38 -3.07 55.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.967 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.44 -76.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.89 -19.66 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 64' ' ' LEU . 11.1 tp -86.77 12.13 11.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.03 169.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.35 13.46 29.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.42 -53.28 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.603 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -138.51 11.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.38 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.53 114.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -81.59 -40.55 22.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.6 m -154.36 147.71 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.527 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -124.74 137.55 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -132.76 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -67.11 135.21 53.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -131.58 16.62 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.73 -161.55 35.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 2.1 mttm -98.17 148.52 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 15.7 m-85 -137.75 161.81 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -139.97 99.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.616 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -101.85 164.81 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -138.1 168.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.898 ' HB3' HG11 ' A' ' 14' ' ' VAL . 8.1 m-85 -134.03 143.64 48.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -54.91 178.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.57 36.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.6 t0 -125.12 -43.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.898 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.67 148.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -91.15 179.14 5.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -44.75 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.32 -38.07 88.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -45.95 91.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.15 -59.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.594 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.82 -31.67 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -65.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -41.44 -35.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -68.47 -56.38 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.55 -39.32 83.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -47.22 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -71.69 -50.74 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.473 ' N ' HG12 ' A' ' 26' ' ' VAL . 2.7 mm -43.98 -42.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.37 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' VAL . 17.0 tp10 -66.11 -71.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -162.28 -70.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.98 169.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.607 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -132.16 -175.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.383 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 45' ' ' PHE . 19.7 mm -134.61 131.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -113.97 -29.06 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.88 160.36 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -132.17 170.32 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.06 104.92 8.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -115.32 58.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 155.52 40.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.65 -12.74 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 113.48 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HB3' HD11 ' A' ' 19' ' ' ILE . 10.2 mtpt -115.79 93.87 4.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.08 -170.16 17.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 33' ' ' ILE . 13.1 p90 -158.16 161.43 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -130.2 151.89 50.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 -147.24 11.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -107.07 138.69 42.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.72 HD22 ' HZ ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -141.45 -169.0 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.716 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.31 -174.94 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.716 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.96 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -64.03 -52.37 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.9 m -55.74 -37.61 68.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.548 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 1.9 mt -52.37 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' LEU . 23.3 m -37.58 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -54.68 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.72 ' HZ ' HD22 ' A' ' 49' ' ' LEU . 11.7 p90 -92.83 7.06 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -90.2 -43.64 10.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.32 -34.94 57.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.61 1.194 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.66 -13.73 44.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -39.0 148.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.14 52.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -113.01 -32.43 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -136.76 8.66 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 109.243 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -135.45 109.97 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -32.37 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -158.46 153.15 24.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 109.937 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -139.68 139.06 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -134.42 75.43 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HB3' HD11 ' A' ' 54' ' ' LEU . 2.7 pm0 -69.09 134.25 49.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -134.99 28.36 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.64 -165.68 38.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -98.23 114.44 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 m-30 -100.12 165.53 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.57 88.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.504 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -94.13 163.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.22 158.2 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.952 ' HB3' HG11 ' A' ' 14' ' ' VAL . 10.3 m-85 -116.91 136.93 52.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.8 ptmt -48.97 176.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -91.89 34.93 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.467 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 49.3 t0 -125.25 -43.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.952 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -39.43 153.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.76 161.83 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.02 -50.12 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.81 -38.11 86.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -46.5 89.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.66 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.416 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 44.9 mtt180 -57.27 -30.73 64.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.29 -67.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -37.74 -46.73 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 6.9 mtmt -62.14 -55.58 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.89 -39.31 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 tp10 -59.41 -35.29 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 HD21 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -77.1 -38.21 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.871 HD11 HG12 ' A' ' 33' ' ' ILE . 46.3 mm -57.29 -54.87 24.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.13 63.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 3.1 tt0 -50.88 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -159.41 -70.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.74 163.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -139.18 175.77 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 0.8 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.017 HG21 ' OE2' ' A' ' 36' ' ' GLU . 17.8 mm -127.14 134.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.9 p -113.01 -26.17 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.371 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -163.07 127.7 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.017 ' OE2' HG21 ' A' ' 33' ' ' ILE . 28.1 mm-40 -95.94 179.4 5.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -135.35 107.89 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.0 69.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -99.8 160.12 28.14 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.67 3.16 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 -12.13 69.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.9 ttt -125.53 117.88 24.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 0.792 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HG2' HD13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -124.64 113.16 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -154.07 -171.18 20.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 1.7 p90 -159.98 160.58 33.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.49 133.72 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -169.73 -163.86 24.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 130.98 46.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 53' ' ' SER . 2.6 mp -140.38 -170.46 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.711 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -143.32 -174.38 0.41 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.711 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.08 -21.34 15.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.28 -51.85 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.796 ' HB3' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -56.61 -40.8 75.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD23 ' NE2' ' A' ' 58' ' ' GLN . 1.1 mp -55.67 -68.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.8 m -37.61 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.79 -70.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.85 ' CE1' HD11 ' A' ' 68' ' ' ILE . 18.3 p90 -90.0 19.62 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.789 ' NE2' HD23 ' A' ' 54' ' ' LEU . 3.1 mt-30 -91.58 -76.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.15 -21.06 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 64' ' ' LEU . 3.1 tp -88.58 16.56 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -54.72 170.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.76 15.01 25.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -121.77 -48.05 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.637 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.86 10.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.636 HG21 HD12 ' A' ' 68' ' ' ILE . 1.3 mm -132.82 116.88 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.11 -42.76 13.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.1 m -145.01 152.9 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.85 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -139.92 120.39 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -119.2 82.62 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' HD22 ' A' ' 54' ' ' LEU . 8.6 tt0 -71.59 135.7 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -136.4 40.57 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.363 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.501 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -176.37 54.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.8 155.98 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.8 m-85 -135.44 168.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.19 111.65 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.926 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -121.25 154.82 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.926 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -134.35 159.71 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.947 ' HB3' HG11 ' A' ' 14' ' ' VAL . 10.4 m-85 -116.58 144.39 44.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -47.74 174.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.34 35.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 57.6 t0 -124.15 -48.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.947 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -39.52 148.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.35 179.44 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.944 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 tt0 -71.54 -64.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.241 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' GLU . 5.4 t70 -39.04 -64.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 1.5 mttm -43.84 -45.57 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.88 -58.12 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 15.0 mtm180 -57.14 -31.91 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.3 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -38.1 -38.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -66.7 -55.94 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.46 -39.51 83.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.56 -45.06 62.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -44.43 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.81 -44.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.4 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.36 -72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.74 -71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.23 166.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.08 179.77 5.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.7 mm -130.81 130.89 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p -115.87 -30.35 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -152.9 160.01 43.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.065 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -132.42 171.34 13.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.502 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 66.6 m-85 -132.07 93.36 3.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -95.96 78.8 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 157.58 40.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -11.17 21.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.6 7.23 4.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 91.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.39 77.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.907 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -132.97 -171.27 12.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CE2' HG22 ' A' ' 8' ' ' VAL . 19.4 p90 -154.42 161.29 41.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -131.17 150.44 52.15 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.17 -150.77 14.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.49 134.1 42.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.77 -169.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -153.14 -178.02 0.8 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.02 -23.18 14.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -55.33 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 49' ' ' LEU . 1.7 m -55.69 -36.84 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 70' ' ' GLU . 1.4 mp -56.94 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.5 m -37.74 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.81 -69.91 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.686 ' CE1' HD11 ' A' ' 68' ' ' ILE . 11.1 p90 -89.86 11.34 20.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.631 ' OE1' HD23 ' A' ' 54' ' ' LEU . 4.2 mt-30 -91.33 -58.27 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.93 76.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.7 tp -86.19 -11.25 52.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tt0 -38.44 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.3 -8.14 64.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.48 -33.78 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -142.47 11.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.452 HD11 ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -133.85 118.25 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -44.31 20.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -154.1 145.85 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.686 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -126.23 124.69 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.16 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -125.1 77.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.641 ' HB3' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -68.22 128.49 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -123.85 17.36 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.65 -157.31 27.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -98.12 152.35 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.632 ' HB2' HD12 ' A' ' 49' ' ' LEU . 21.5 m-85 -138.72 159.09 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.17 99.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.746 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.5 m -107.67 168.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.11 174.61 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.885 ' HB3' HG11 ' A' ' 14' ' ' VAL . 6.7 m-85 -134.66 141.76 46.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -49.55 175.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.34 35.61 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.2 t70 -124.19 -45.27 1.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.885 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.42 148.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -91.25 179.67 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -76.0 -49.45 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.28 -45.01 88.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -59.99 -45.72 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -53.72 -57.81 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.2 mtt180 -58.01 -31.37 66.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.7 mt-10 -66.21 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' GLU . 86.3 m -37.75 -43.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.401 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' HG12 ' A' ' 26' ' ' VAL . 24.8 mtmt -64.3 -55.3 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.33 -39.42 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -37.78 65.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -79.43 -38.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.0 mm -57.05 -40.05 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.48 -41.55 21.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.27 -66.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -167.4 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.576 1.173 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.96 168.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.456 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -136.86 170.68 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.45 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 3.7 mm -126.83 129.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -111.7 -29.45 7.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.64 159.51 44.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.48 170.1 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -131.89 101.56 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -110.43 58.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.46 161.35 28.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 -10.03 31.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 ttm -126.96 106.03 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB3' HD11 ' A' ' 19' ' ' ILE . 11.9 mtmm -114.13 89.59 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.1 -171.91 14.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.746 ' CE2' HG22 ' A' ' 8' ' ' VAL . 24.5 p90 -161.05 160.82 31.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -129.97 147.77 51.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 173.05 -153.67 18.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 137.47 38.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 0.74 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' HB2' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -140.51 -167.71 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.05 -173.74 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.726 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.94 2.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.97 -59.01 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.551 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.1 m -57.18 -34.41 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.911 HD22 ' HG3' ' A' ' 58' ' ' GLN . 1.1 mt -49.98 -80.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.9 m -39.2 -32.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.09 -64.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.699 ' HE1' HD23 ' A' ' 54' ' ' LEU . 2.5 p90 -93.21 -13.05 28.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.911 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.76 -36.39 67.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.9 -47.83 36.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD1' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -85.22 -3.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 0.83 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 36.1 tt0 -39.36 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 90.44 -18.35 49.73 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.565 1.166 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -33.25 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.95 11.4 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.629 HD12 HD12 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.85 108.55 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.67 -36.51 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -151.72 152.45 32.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.629 HD12 HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -139.51 127.45 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -126.18 76.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.646 ' HG2' HD21 ' A' ' 54' ' ' LEU . 1.6 mt-10 -66.01 134.51 53.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.97 16.74 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.545 ' N ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 -169.85 42.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -99.19 142.75 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 8.6 m-85 -129.65 167.56 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -139.46 91.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.749 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -96.0 163.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.438 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.2 158.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.933 ' HB3' HG11 ' A' ' 14' ' ' VAL . 21.4 m-85 -117.59 142.34 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.9 ptmt -50.87 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.7 35.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' VAL . 4.4 t70 -124.85 -44.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.933 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.48 150.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.65 179.99 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -61.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.58 -32.9 52.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -62.14 -46.36 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.568 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.28 -57.8 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.568 ' N ' HG22 ' A' ' 19' ' ' ILE . 36.9 mtt180 -57.46 -31.52 66.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.34 -65.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.438 HG21 ' HE1' ' A' ' 10' ' ' PHE . 52.6 m -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -63.75 -55.66 21.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.19 -38.89 59.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.24 78.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -71.86 -40.41 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 32' ' ' THR . 8.9 mm -58.38 -40.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.98 -16.83 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -86.25 -66.89 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -172.27 -56.74 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.06 169.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.528 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -138.31 175.92 9.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.343 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.603 HD12 ' CD1' ' A' ' 45' ' ' PHE . 4.8 mm -137.28 127.54 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -112.04 -27.7 8.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -154.04 158.6 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.05 171.08 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -129.28 115.34 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -120.42 60.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mmt -89.26 154.53 49.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 89.87 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 -12.38 9.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.17 120.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.804 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB3' HD11 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -120.57 104.13 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -148.75 -170.71 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.749 ' CE2' HG22 ' A' ' 8' ' ' VAL . 9.6 p90 -163.11 162.41 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -129.06 135.35 48.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -164.65 -163.49 17.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.6 103.99 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 5.6 mp -105.57 -170.27 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.545 HG23 ' N ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -154.46 -177.43 0.73 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.05 -25.53 11.7 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.5 1.789 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.93 -60.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 110.227 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -39.14 56.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -54.97 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.1 m -37.62 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.69 -74.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.804 ' HE1' HD11 ' A' ' 68' ' ' ILE . 34.4 p90 -91.75 27.03 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 1.6 mt-30 -86.59 -84.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.12 -21.41 8.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.697 HD23 ' CD1' ' A' ' 64' ' ' LEU . 6.6 tp -73.71 -3.82 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -42.92 166.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.85 51.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -121.35 -54.29 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.697 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -132.67 0.16 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.615 HG12 HD22 ' A' ' 64' ' ' LEU . 1.7 mm -126.7 116.5 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -151.3 151.95 32.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.804 HD11 ' HE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -140.52 115.17 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.27 98.38 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.847 ' HG2' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -83.39 131.04 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.77 23.75 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 -170.12 21.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 3.4 pttt -99.61 145.69 27.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.4 0.706 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.4 m-85 -130.77 165.85 22.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.21 96.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.878 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -111.68 156.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.922 HG23 ' HA3' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -133.08 173.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' HG11 ' A' ' 14' ' ' VAL . 5.2 m-85 -123.67 153.16 41.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.51 ' CD ' ' HB2' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -68.87 -167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -100.93 36.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.51 ' HB2' ' CD ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -126.13 -42.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -37.7 151.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.42 173.83 7.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -60.85 2.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.35 86.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.598 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.76 -58.86 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.598 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -56.14 -32.91 64.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -66.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 m -38.98 -40.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.4 -54.78 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -39.59 86.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -55.77 -34.45 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -80.58 -41.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -54.36 -49.5 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.9 -52.34 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 9.7 tt0 -47.17 -71.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.51 -70.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -42.72 166.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.494 ' O ' HD13 ' A' ' 33' ' ' ILE . 1.1 m -130.81 -175.55 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 32' ' ' THR . 25.6 mm -140.11 127.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 t -113.77 -31.33 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.11 159.53 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.03 166.49 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 73.7 m-85 -124.91 95.0 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -107.14 58.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.14 165.14 15.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 80.83 2.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.26 -3.47 8.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.01 88.05 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -99.16 71.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.922 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -134.47 -169.72 12.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.3 p90 -158.21 165.68 34.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 0.728 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -135.31 139.28 44.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 179.04 -147.16 7.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.94 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.6 mt-10 -100.97 138.47 37.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.357 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.94 HD12 ' O ' ' A' ' 48' ' ' GLU . 4.8 mp -141.58 -166.24 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.621 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -160.85 -177.79 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -54.75 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.567 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.28 -38.81 69.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 50' ' ' THR . 3.1 mp -53.4 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -37.74 -30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -57.95 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 2.6 p90 -91.26 9.52 31.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 54' ' ' LEU . 7.9 mt-30 -92.18 -34.92 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.53 19.12 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.02 -4.37 37.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -39.58 145.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.02 -41.87 2.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.6 1.188 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -101.65 12.67 36.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.769 HD23 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -160.4 -48.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -91.6 117.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -82.33 -40.85 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 141.13 19.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -126.46 111.13 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -109.04 68.92 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.58 121.09 13.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -116.6 12.54 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.51 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.433 ' N ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.19 -165.95 28.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.406 1.066 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 55.1 mttt -99.01 141.79 31.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 4.2 m-85 -129.3 165.96 20.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.41 103.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -109.83 160.81 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -140.56 155.15 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.948 ' HB3' HG11 ' A' ' 14' ' ' VAL . 47.3 m-85 -114.63 149.67 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.1 ptmt -51.57 -177.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.48 36.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -127.49 -45.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.948 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -39.24 148.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -91.43 178.98 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -56.07 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -46.8 -45.56 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -51.97 -58.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.597 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.85 -32.84 66.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.4 mt-10 -65.01 -65.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -38.85 -39.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.36 -56.03 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.47 -39.86 85.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -51.02 -41.54 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -38.59 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.0 mm -55.35 -57.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.55 94.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.59 -70.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.73 -66.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.8 167.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.472 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -135.04 177.78 7.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 0.749 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 45' ' ' PHE . 12.5 mm -134.73 127.5 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -111.75 -28.99 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -151.51 155.42 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.61 167.32 20.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.07 84.72 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.6 p-10 -87.66 79.64 8.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.03 171.78 4.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.46 0.19 89.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.587 1.179 . . . . 0.0 110.974 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.13 110.27 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 89.64 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -146.59 -170.84 15.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.0 p90 -156.01 163.34 39.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.499 0.764 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.42 136.27 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -170.25 -160.4 18.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.52 107.7 19.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.585 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 7.5 mp -107.96 -169.66 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.703 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.71 -172.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.703 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.05 -37.19 2.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.11 -61.48 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.2 m -54.46 -34.3 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.895 HD21 ' HG2' ' A' ' 70' ' ' GLU . 3.9 mt -50.1 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 m -39.0 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.92 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.74 ' HE1' HD23 ' A' ' 54' ' ' LEU . 1.2 p90 -91.77 -25.22 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.651 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.72 -41.39 61.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.86 -47.52 7.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.038 HD23 ' CD2' ' A' ' 64' ' ' LEU . 21.7 tp -65.25 -12.34 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.1 OUTLIER -43.5 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.226 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.81 -37.31 3.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.61 23.63 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.038 ' CD2' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -160.3 -61.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.635 HG21 HD12 ' A' ' 68' ' ' ILE . 1.5 mt -94.05 130.44 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -84.74 -44.48 13.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -149.68 135.52 18.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -114.49 130.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -125.86 72.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.895 ' HG2' HD21 ' A' ' 54' ' ' LEU . 3.4 mt-10 -63.89 130.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.16 29.8 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -174.87 23.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 8.7 mtmm -98.87 134.3 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.848 ' HB2' HD12 ' A' ' 49' ' ' LEU . 5.1 m-85 -120.66 167.99 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.635 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.3 90.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 9' ' ' ILE . 1.6 m -95.34 165.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -140.13 163.66 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.919 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.1 m-85 -126.33 149.42 49.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 14' ' ' VAL . 13.8 ptmt -60.1 176.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -92.25 36.36 0.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.2 m-20 -128.93 -41.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.919 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -35.61 147.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.04 160.65 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.21 -51.74 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -46.33 90.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -55.1 -59.01 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.2 mtt180 -55.98 -31.04 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.68 -67.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -42.57 -40.76 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.92 -50.61 61.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.8 -41.04 94.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.03 -43.37 66.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG22 ' OG ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -71.17 -40.0 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.4 mm -53.2 -55.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.6 88.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.97 -75.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -157.35 -72.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.449 1.093 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.89 164.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.529 ' HA ' HD13 ' A' ' 27' ' ' ILE . 1.6 m -134.19 -173.6 3.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' H ' HG22 ' A' ' 32' ' ' THR . 5.3 mm -138.86 127.68 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -112.92 -31.8 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -145.34 160.11 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.15 169.75 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.86 90.28 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -97.69 72.44 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 157.45 34.09 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 95.82 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.98 -13.2 22.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 ttt -127.81 119.83 26.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -119.69 86.71 2.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.49 -173.38 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.7 p90 -168.84 163.64 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.635 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -133.06 146.79 52.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 175.07 -145.16 7.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.19 140.01 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 6' ' ' PHE . 12.3 mt -141.91 -169.37 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.542 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -161.2 -176.39 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.07 -31.04 6.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.568 1.826 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -55.5 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.528 ' OG ' HG22 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -54.65 -39.71 68.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.523 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 2.2 mt -51.43 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -38.36 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -55.06 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 68' ' ' ILE . 9.9 p90 -91.93 5.5 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.9 mm100 -90.79 122.02 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.082 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.81 -41.22 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.415 1.072 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.839 HD21 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -77.45 -0.71 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -39.55 157.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.16 -19.71 33.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.449 ' HB3' HD12 ' A' ' 60' ' ' LEU . 1.8 t0 -117.86 -6.0 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.839 HD23 HD21 ' A' ' 60' ' ' LEU . 2.2 tp -157.53 -54.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.488 HG21 HD13 ' A' ' 68' ' ' ILE . 46.4 mm -89.76 117.1 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -85.1 -31.1 23.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -165.88 135.02 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -114.7 142.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -136.58 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.603 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.82 137.42 57.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -136.23 15.63 3.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.1 -178.32 0.59 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.52 127.63 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 3' ' ' ALA . 12.0 m-30 -102.87 163.96 11.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.83 HG22 ' HB2' ' A' ' 46' ' ' ALA . 5.6 pt -140.76 94.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.943 ' C ' HD13 ' A' ' 9' ' ' ILE . 10.3 m -99.15 157.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.943 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.71 167.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.887 ' HB3' HG11 ' A' ' 14' ' ' VAL . 8.2 m-85 -129.64 140.48 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' PHE . 14.4 ptmt -50.61 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -95.5 35.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.887 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.17 152.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.4 ' O ' HG22 ' A' ' 14' ' ' VAL . 7.0 p -90.6 173.88 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.62 -44.04 44.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -40.34 94.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 6.6 mtpt -60.37 -46.22 90.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.624 1.202 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.93 -59.0 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.593 ' N ' HG22 ' A' ' 19' ' ' ILE . 34.8 mtt180 -56.41 -31.39 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -66.69 -67.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 m -39.96 -37.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -67.0 -56.48 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.61 -39.51 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.57 -40.44 65.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -77.64 -47.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.437 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 1.9 mm -48.04 -40.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.96 -46.58 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.4 -70.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.55 -70.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.8 166.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -131.82 -179.67 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 45' ' ' PHE . 25.4 mm -130.06 133.13 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.667 HG22 ' HA2' ' A' ' 47' ' ' GLY . 15.0 t -114.47 -26.34 7.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.364 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.563 ' ND2' HG23 ' A' ' 34' ' ' THR . 74.3 m-20 -159.54 163.81 34.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.49 167.15 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.44 90.52 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.19 54.85 1.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.409 ' HB2' ' CB ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -88.47 165.29 28.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.69 20.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.6 3.5 5.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -135.56 92.07 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.937 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -100.69 70.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.749 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -137.85 -169.06 11.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.699 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 9.7 p90 -153.91 165.35 36.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 7' ' ' ILE . . . -132.48 160.56 36.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.667 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 158.15 -154.64 25.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.97 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.23 -168.1 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.746 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -158.41 -175.2 0.49 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.99 -24.67 12.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.581 1.832 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -61.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.491 ' CB ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -53.76 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.4 m -37.28 -30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.88 -71.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.854 ' CE1' HD11 ' A' ' 68' ' ' ILE . 23.8 p90 -92.78 14.28 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -90.3 -46.65 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -29.95 62.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -90.22 -21.12 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -38.69 158.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 99.69 -23.27 36.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.92 -28.18 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.707 HD22 HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -134.05 1.04 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.707 HG12 HD22 ' A' ' 64' ' ' LEU . 1.3 mm -131.67 112.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -80.62 -43.48 20.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 2.8 m -137.77 149.72 46.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.854 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -141.0 109.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 99.45 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' A' ' 54' ' ' LEU . 4.4 mp0 -104.89 120.32 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -112.81 66.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.29 -164.57 28.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -98.88 140.91 32.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 6.9 m-85 -132.57 153.9 50.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.958 HG22 ' CB ' ' A' ' 46' ' ' ALA . 11.8 pt -140.38 103.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.912 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.47 164.04 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.912 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -132.79 173.32 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.94 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.8 m-85 -122.0 156.78 32.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.8 ptmt -50.71 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -98.56 37.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 13.6 t0 -131.57 -44.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.94 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -38.77 150.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 p -91.74 177.61 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.78 -40.3 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.98 -61.17 2.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -51.3 -45.42 62.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.4 -58.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.379 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -55.99 -32.73 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.06 -66.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.391 1.057 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -43.63 -37.14 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -65.72 -51.01 62.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.48 -40.88 98.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.5 mt-10 -54.07 -41.12 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -76.18 -39.88 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.519 HD11 ' CG1' ' A' ' 33' ' ' ILE . 1.9 mm -49.73 -55.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -72.76 -57.97 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -37.83 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -154.96 -73.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.23 170.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -139.99 -175.79 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' CG1' HD11 ' A' ' 27' ' ' ILE . 4.8 mm -137.93 125.21 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -115.4 -32.08 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -152.9 108.51 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.09 165.61 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 25.4 m-85 -118.62 81.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -83.39 80.25 9.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.78 160.84 54.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.41 4.75 73.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 95.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HB2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.13 82.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.869 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -140.18 -170.69 12.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 4.4 p90 -148.21 160.77 42.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.958 ' CB ' HG22 ' A' ' 7' ' ' ILE . . . -138.38 122.97 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.03 -133.18 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -116.25 141.05 48.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 1.1 mt -141.72 -167.77 2.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.754 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -154.35 -174.19 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.438 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.714 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.04 -34.29 3.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.45 -58.49 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.8 OUTLIER -54.71 -35.3 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 50' ' ' THR . 1.8 mp -51.86 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -38.14 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -54.45 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.667 ' HB2' HD11 ' A' ' 65' ' ' ILE . 1.7 p90 -88.34 -2.33 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.7 mm-40 -81.32 120.3 24.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.91 -28.6 9.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -75.35 -8.66 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' HG2' HG22 ' A' ' 65' ' ' ILE . 21.8 mt-30 -39.98 147.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.65 -23.32 16.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -4.36 10.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 0.715 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 65' ' ' ILE . 1.2 tp -159.94 -65.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 57' ' ' PHE . 3.1 mt -79.6 126.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -92.37 -40.2 11.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -152.47 135.46 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.63 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -122.0 125.17 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.61 72.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 1.9 pp20? -69.03 131.54 45.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 27.96 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.481 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.79 -172.4 14.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 40.6 mttt -104.25 145.44 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.3 m-85 -129.15 164.38 23.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -139.61 101.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG22 ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.06 155.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -132.0 170.23 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.707 ' HB3' HG11 ' A' ' 14' ' ' VAL . 5.1 m-85 -130.19 141.29 50.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -52.21 174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.0 36.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.8 t70 -124.79 -43.09 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.707 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -39.83 153.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -90.82 163.31 14.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -65.26 -46.33 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.85 -40.81 94.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -60.79 -45.97 92.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.38 -58.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.597 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.6 mtt180 -56.38 -30.82 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.03 -67.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -41.19 -35.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -67.86 -54.97 14.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.41 -42.7 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -70.57 -40.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -55.03 -55.31 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.34 -72.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -164.35 -70.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.66 164.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.93 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.58 128.76 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.504 HG23 ' ND2' ' A' ' 35' ' ' ASN . 14.3 t -113.56 -31.39 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' ND2' HG23 ' A' ' 34' ' ' THR . 30.5 m-20 -146.67 111.21 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 166.86 11.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -120.67 86.6 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -93.07 75.81 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.87 170.77 5.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.28 -1.79 88.56 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.483 ' HE1' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.94 133.62 44.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.584 0.814 . . . . 0.0 110.991 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HB3' HD11 ' A' ' 19' ' ' ILE . 20.0 mtpt -142.69 88.63 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -155.24 -168.65 18.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 8' ' ' VAL . 32.3 p90 -159.91 159.59 32.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -130.56 136.05 48.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -174.24 -154.04 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.971 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' LEU . 10.0 mm-40 -100.87 121.45 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 6.6 mp -122.47 -169.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.8 -176.02 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.91 -27.93 9.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -61.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -50.34 -39.96 47.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.822 HD11 ' HG2' ' A' ' 70' ' ' GLU . 1.8 mt -51.8 -71.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.459 ' CA ' ' HB2' ' A' ' 58' ' ' GLN . 79.6 m -36.93 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -58.22 -71.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.697 ' CE1' HD23 ' A' ' 54' ' ' LEU . 20.0 p90 -93.08 17.26 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.607 ' NE2' HD13 ' A' ' 54' ' ' LEU . 2.8 mt-30 -90.2 -45.64 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.26 -35.48 29.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.72 -20.0 43.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 5.0 tt0 -39.08 147.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 106.99 -21.85 30.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -108.67 -27.81 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.631 HD22 HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -136.07 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.631 HG12 HD22 ' A' ' 64' ' ' LEU . 1.2 mm -135.3 118.29 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -81.47 -47.04 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -144.69 154.84 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.602 HD12 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -134.96 116.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -113.28 73.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.822 ' HG2' HD11 ' A' ' 54' ' ' LEU . 2.6 mt-10 -67.26 132.26 47.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.11 28.62 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.544 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 p -47.41 172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.636 ' H ' HG23 ' A' ' 50' ' ' THR . . . -89.58 8.35 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.18 -168.13 20.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 11.3 ttpt -99.4 146.94 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.3 m-85 -132.49 168.33 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -140.47 108.13 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG22 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.56 159.72 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -137.44 152.74 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.958 ' HB3' HG11 ' A' ' 14' ' ' VAL . 59.3 m-85 -113.65 139.96 48.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -49.02 177.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.54 34.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 38.1 t0 -124.88 -41.91 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.958 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.17 153.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.86 168.08 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -56.19 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.83 -33.17 68.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.64 -46.4 89.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -54.64 -58.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.8 mtp180 -56.25 -30.55 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.11 -67.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -42.62 -46.59 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HD2' ' CD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.76 -47.43 83.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.62 -39.4 91.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.22 -34.31 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -78.94 -37.43 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -59.55 -50.37 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.88 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -53.3 -70.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -163.98 -68.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.56 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.1 -177.78 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 110.386 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.588 HD12 ' CD2' ' A' ' 45' ' ' PHE . 5.7 mm -132.45 131.96 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 47' ' ' GLY . 7.0 t -114.02 -29.32 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ALA . 5.0 t-20 -151.77 161.96 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.38 99.64 5.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -106.2 70.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.87 161.5 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 104.49 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.33 60.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.9 ttm -123.07 117.14 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.78 ' HB3' HD11 ' A' ' 19' ' ' ILE . 15.9 mtmm -121.15 92.72 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.23 -172.95 13.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.714 ' CE1' HG22 ' A' ' 8' ' ' VAL . 29.5 p90 -164.98 161.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.58 142.84 49.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 179.79 -149.04 8.34 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.909 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.2 mt-10 -102.08 130.72 48.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 48' ' ' GLU . 7.7 mp -135.09 -169.2 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.694 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.27 -175.52 0.52 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.694 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.03 -29.11 8.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.576 1.829 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -61.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -37.48 46.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.609 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 mp -53.05 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m -37.12 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.04 -71.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.24 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.713 ' CE1' HD11 ' A' ' 68' ' ' ILE . 6.3 p90 -90.71 16.75 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -91.5 -38.88 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.62 -42.57 7.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.777 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -70.43 -7.14 40.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -43.22 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.8 -41.93 3.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.83 23.73 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 60' ' ' LEU . 3.4 tp -160.13 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 68' ' ' ILE . 1.5 mt -93.9 126.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.28 -40.43 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 m -147.34 138.67 23.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -125.09 132.38 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -137.32 102.66 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.462 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -87.22 134.14 33.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -127.48 15.66 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -93.28 -54.01 1.78 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.91 65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.7 t -104.99 -62.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.836 HG22 HG23 ' A' ' 76' ' ' THR . 5.4 m 62.44 150.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.836 HG23 HG22 ' A' ' 75' ' ' THR . 64.3 p 44.8 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p 72.44 135.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.49 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -115.86 12.44 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 -165.57 13.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 8.4 ptmm? -98.91 155.7 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 18.9 m-85 -138.08 166.32 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.35 93.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG22 ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -103.0 160.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -139.4 150.58 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.929 ' HB3' HG11 ' A' ' 14' ' ' VAL . 48.3 m-85 -108.99 145.02 36.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.2 ptmt -51.34 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -96.61 35.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.72 -45.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.929 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.64 150.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 p -91.07 165.05 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -47.09 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.2 -38.94 93.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.93 91.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.67 -58.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 84.4 mtt-85 -57.36 -30.55 64.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.62 -66.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -38.76 -40.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -63.73 -55.6 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.99 -42.35 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.19 -38.55 58.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.46 -42.13 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.554 HD11 ' CG1' ' A' ' 33' ' ' ILE . 6.2 mm -50.27 -52.17 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.16 -58.21 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.2 tp10 -38.62 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -165.84 -67.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.34 164.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -130.31 179.48 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.433 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.613 HD12 ' CD2' ' A' ' 45' ' ' PHE . 19.8 mm -136.04 128.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.444 HG22 ' HA2' ' A' ' 47' ' ' GLY . 7.1 t -113.31 -29.66 7.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -152.38 162.56 41.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -137.24 167.67 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 79.4 m-85 -128.25 91.03 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.87 78.44 5.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.454 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.1 OUTLIER -107.13 172.43 3.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.56 -4.28 85.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 7.8 ttm -125.39 126.44 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 19' ' ' ILE . 39.0 mttp -134.95 94.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -145.36 -171.05 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.736 ' CE1' HG22 ' A' ' 8' ' ' VAL . 30.0 p90 -158.68 160.26 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -130.33 140.3 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' HA2' HG22 ' A' ' 34' ' ' THR . . . -179.55 -149.35 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.96 135.47 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.678 HD22 ' HZ ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -141.94 -169.0 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.69 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.46 -175.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.69 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -70.84 -57.17 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.5 m -55.06 -37.03 66.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.039 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.575 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.7 mp -54.17 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 10.9 m -37.79 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.38 -69.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.806 ' HE1' HD11 ' A' ' 68' ' ' ILE . 8.2 p90 -91.29 5.44 49.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.571 ' HG2' HD13 ' A' ' 68' ' ' ILE . 4.8 mt-30 -91.24 -37.32 13.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.22 -29.58 64.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -95.51 -0.41 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' LEU . 1.3 tt0 -39.91 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.2 -43.39 3.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.09 14.66 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.738 ' CD2' HD21 ' A' ' 60' ' ' LEU . 17.7 tp -157.91 -70.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.701 HG21 HD12 ' A' ' 68' ' ' ILE . 20.4 mm -80.52 126.68 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.91 -40.91 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 m -152.24 135.8 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.806 HD11 ' HE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -115.11 133.03 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -126.23 71.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 15.7 tt0 -64.16 123.79 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -120.51 8.95 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -75.81 151.89 41.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 3' ' ' ALA . 4.2 mp -127.54 136.48 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.209 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -97.93 72.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m 44.44 87.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 96.2 m -133.73 127.16 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.478 ' CB ' ' OE1' ' A' ' 48' ' ' GLU . 2.0 p 72.18 164.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 0.805 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.74 -42.58 7.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.52 -160.35 32.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 27.4 mtmt -98.11 119.71 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.815 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -109.93 160.35 16.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.64 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.38 109.16 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.733 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -110.89 166.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.58 162.47 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.868 ' HB3' HG11 ' A' ' 14' ' ' VAL . 15.3 m-85 -124.01 137.93 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.3 ptmt -49.46 177.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -93.49 34.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 20.2 t70 -123.94 -43.59 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.868 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.94 152.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -90.56 163.41 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -52.91 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -36.9 72.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -61.44 -46.39 90.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.589 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.51 -58.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.363 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.589 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -56.72 -31.46 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.81 -66.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -38.66 -36.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.08 -58.2 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -38.55 81.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -38.77 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -75.69 -38.56 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.73 -50.86 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.31 75.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -69.76 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.98 -67.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.32 163.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.89 164.17 25.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' CD1' ' A' ' 45' ' ' PHE . 24.9 mm -120.56 124.83 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.9 p -111.21 -31.16 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.09 157.82 43.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.63 1.206 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -133.68 166.93 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -125.87 94.26 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -96.46 77.55 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -110.11 153.78 43.08 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.152 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.55 12.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.92 -9.5 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -143.13 143.16 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 0.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB3' HD11 ' A' ' 19' ' ' ILE . 24.8 mmtt -139.08 92.33 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.59 -171.09 15.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.589 1.181 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.733 ' CE2' HG22 ' A' ' 8' ' ' VAL . 23.6 p90 -156.29 163.7 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.64 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . . . -131.98 149.17 52.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 174.84 -157.53 24.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.24 123.86 43.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.805 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 8.0 mp -129.07 -170.46 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.33 -174.47 0.41 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.726 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.33 -58.53 5.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.451 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 3.1 m -55.52 -32.33 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.066 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.801 HD23 ' CE1' ' A' ' 57' ' ' PHE . 5.9 mt -54.03 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -39.94 -31.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -67.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.805 ' HZ ' HD23 ' A' ' 49' ' ' LEU . 10.9 p90 -91.3 -40.83 11.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -46.82 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.58 -21.37 4.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.076 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 64' ' ' LEU . 14.6 tp -90.82 22.27 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.528 ' NE2' ' HG2' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -59.34 167.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 13.07 43.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.442 1.089 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.47 -61.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.661 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -130.89 5.74 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.694 HD12 HD12 ' A' ' 68' ' ' ILE . 0.7 OUTLIER -124.08 114.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -37.89 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.0 m -153.91 148.29 26.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.75 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -133.77 132.89 56.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.96 81.04 1.97 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -75.37 133.77 41.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.96 22.82 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.561 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -91.18 -104.49 1.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -90.65 103.52 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -115.86 105.53 18.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.563 ' O ' HG22 ' A' ' 75' ' ' THR . 3.5 m -159.06 65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.9 m -118.79 -59.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -62.54 -139.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.537 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -91.19 42.96 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.12 -170.31 30.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 22.0 mttt -104.55 155.27 18.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 7.6 m-85 -137.12 165.83 25.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mt -140.58 96.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -105.99 163.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -137.55 176.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.95 ' HB3' HG11 ' A' ' 14' ' ' VAL . 64.5 m-85 -136.33 143.24 44.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -50.2 178.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.92 34.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 16.9 t70 -124.8 -43.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.95 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.31 152.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.257 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.73 175.11 7.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -53.09 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -58.21 -36.86 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -46.23 91.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.584 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.71 -58.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.584 ' N ' HG22 ' A' ' 19' ' ' ILE . 23.8 mtt180 -56.79 -30.65 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.78 -66.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.9 m -39.2 -41.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -62.92 -54.29 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.44 -39.65 76.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -41.25 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -42.96 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.19 -41.47 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.09 -40.08 28.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.64 -66.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.78 -65.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.82 166.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.72 -179.35 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -136.01 129.77 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.3 p -110.93 -31.04 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.187 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -150.98 161.78 42.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -134.24 167.38 20.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.82 94.96 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 1.0 OUTLIER -99.17 76.1 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.9 mtt -112.76 155.45 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.54 15.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.78 -15.06 15.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 ttm -136.58 132.2 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.47 89.85 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -150.75 -167.67 14.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 7.4 p90 -153.1 167.15 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.09 139.21 39.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.88 -146.08 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.88 136.45 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -142.08 -166.57 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -154.23 -179.85 1.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.58 -55.06 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.492 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -52.46 -43.03 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.931 HD21 ' HB2' ' A' ' 70' ' ' GLU . 2.0 mp -52.25 -70.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.6 m -37.74 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -58.53 -69.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.793 ' CE1' HD11 ' A' ' 68' ' ' ILE . 14.8 p90 -90.87 10.16 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.916 ' HG2' HD13 ' A' ' 68' ' ' ILE . 4.0 mt-30 -91.17 -52.48 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.35 97.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -8.51 59.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 6.5 tt0 -39.86 148.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.01 54.75 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -126.9 4.21 6.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 4.3 tp -152.04 -48.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.608 HG21 HD12 ' A' ' 68' ' ' ILE . 20.3 mm -99.0 123.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -85.57 -35.89 20.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -153.16 136.38 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.916 HD13 ' HG2' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -119.83 114.5 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -112.14 67.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.931 ' HB2' HD21 ' A' ' 54' ' ' LEU . 12.4 tt0 -61.66 126.85 28.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.2 19.01 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.394 1.059 . . . . 0.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -60.04 -65.57 3.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.721 ' O ' HG23 ' A' ' 73' ' ' ILE . 2.2 tt -80.29 84.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 74' ' ' VAL . 7.8 p -117.65 78.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.4 m 63.4 143.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 m -64.78 -65.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.429 1.08 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -72.45 -172.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.428 ' H ' HG23 ' A' ' 50' ' ' THR . . . -93.52 1.59 56.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 -162.03 23.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 13.2 mttm -98.31 153.67 18.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 20.5 m-85 -139.66 161.71 36.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mt -140.45 101.66 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -110.94 162.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -137.35 164.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.918 ' HB3' HG11 ' A' ' 14' ' ' VAL . 56.7 m-85 -124.16 146.68 48.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.0 ptmt -52.01 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.37 35.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' VAL . 3.2 m-20 -125.36 -44.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.918 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.4 146.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.3 p -91.34 166.74 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -47.05 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -59.84 -42.38 93.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -46.83 88.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.585 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.36 -58.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.585 ' N ' HG22 ' A' ' 19' ' ' ILE . 22.5 mtt180 -56.77 -30.59 63.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.92 -67.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 m -41.01 -40.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.49 -53.8 42.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -39.43 85.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -55.71 -36.04 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -79.19 -38.43 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 32' ' ' THR . 1.7 mm -57.3 -51.32 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.5 -49.85 30.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 26.8 tt0 -49.06 -68.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.94 -69.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -44.48 169.77 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.508 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -140.01 174.6 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.388 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.729 HD12 ' CD1' ' A' ' 45' ' ' PHE . 39.9 mm -125.7 129.3 72.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -112.56 -30.68 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.12 161.05 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -134.86 167.79 20.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.85 96.07 4.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -92.76 79.56 4.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.45 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -99.75 170.7 6.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 0.91 75.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.45 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -130.49 136.31 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -139.24 97.84 3.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.43 -171.86 12.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.729 ' CD1' HD12 ' A' ' 33' ' ' ILE . 24.4 p90 -158.09 163.64 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.99 145.22 49.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 178.72 -149.4 8.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -105.87 129.65 53.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -135.47 -168.88 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.734 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -153.75 -173.65 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.734 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.99 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.0 -61.19 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 2.2 m -55.88 -34.15 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.1 mt -52.46 -81.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -38.8 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.51 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.838 ' CE1' HD11 ' A' ' 68' ' ' ILE . 9.8 p90 -92.72 -8.27 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.669 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -74.88 -40.09 61.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.17 -53.27 43.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD21 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.76 -2.19 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.358 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 17.9 tt0 -39.77 146.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 61' ' ' GLN . . . 99.57 -27.77 18.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.63 2.95 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.728 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.7 tp -151.97 -46.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.85 HG21 HD12 ' A' ' 68' ' ' ILE . 25.9 mm -98.89 119.1 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.1 -38.93 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -148.56 136.78 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.85 HD12 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -121.12 120.19 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -121.28 70.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 126.75 28.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -124.5 19.36 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -65.11 -74.68 0.46 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.535 1.147 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.1 tt -98.62 121.91 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.3 p -108.75 -44.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.2 m 59.85 151.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 m 68.32 -75.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -171.45 136.56 1.01 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 0.747 . . . . 0.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 50' ' ' THR . . . -75.34 -48.88 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.23 -161.27 33.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 77.4 mttt -97.78 113.06 24.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.381 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.646 ' HE2' HD11 ' A' ' 54' ' ' LEU . 5.9 m-85 -102.57 164.33 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.46 98.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.668 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -101.78 164.85 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.642 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -139.71 174.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.934 ' HB3' HG11 ' A' ' 14' ' ' VAL . 17.5 m-85 -134.14 142.69 47.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -54.71 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.86 36.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -124.54 -45.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.934 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.78 149.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.01 -178.03 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.33 -57.45 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -33.8 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' A' ' 14' ' ' VAL . 11.7 mptt -62.24 -46.02 90.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.1 -57.62 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.8 mtp180 -58.29 -32.84 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.4 mt-10 -64.18 -64.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 HG21 ' HE1' ' A' ' 10' ' ' PHE . 24.1 m -38.72 -45.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -62.73 -53.41 54.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -39.47 74.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -43.86 64.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -50.29 -43.0 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.95 -24.02 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -76.09 -71.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.35 -70.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.79 168.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.453 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -138.17 -179.68 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.395 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.8 HD12 ' CD1' ' A' ' 45' ' ' PHE . 14.8 mm -123.89 133.25 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.462 HG22 ' HA2' ' A' ' 47' ' ' GLY . 6.4 t -114.13 -26.36 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 46' ' ' ALA . 1.1 m-80 -155.23 163.69 39.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.177 . . . . 0.0 109.202 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -134.26 169.68 16.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.633 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 78.5 m-85 -128.04 90.92 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -90.29 79.73 6.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.08 164.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -65.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 1.17 76.24 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.497 1.123 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.13 133.87 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 0.764 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 94.93 2.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.47 -168.45 13.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.8 ' CD1' HD12 ' A' ' 33' ' ' ILE . 17.6 p90 -155.77 161.31 40.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -127.96 153.35 46.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 169.14 -158.74 31.44 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.4 tt0 -99.23 136.99 38.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 48' ' ' GLU . 2.8 mp -141.18 -168.0 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.731 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.45 -174.39 0.4 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.456 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.731 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.0 -33.62 4.44 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.17 -52.04 51.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -58.26 -36.64 73.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.682 HD23 ' CE1' ' A' ' 57' ' ' PHE . 7.4 mt -52.37 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -39.48 -32.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -49.77 -68.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 68' ' ' ILE . 12.5 p90 -91.0 -41.24 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.57 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -53.48 -38.1 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -54.47 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -79.0 1.79 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' PHE . 45.9 tt0 -39.28 158.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 87.84 -0.74 84.73 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 60' ' ' LEU . 9.2 t70 -117.15 -44.77 2.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -131.66 2.25 4.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 68' ' ' ILE . 2.0 mm -120.08 115.22 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -84.6 -36.02 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.6 m -157.34 151.35 24.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -140.13 133.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.43 81.64 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.3 tt0 -70.95 132.93 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -133.35 12.43 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.46 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . -105.34 144.99 15.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.571 1.17 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.511 ' CG2' HG22 ' A' ' 75' ' ' THR . 3.3 mt -136.25 143.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 74' ' ' VAL . 7.2 p -112.42 58.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.511 HG22 ' CG2' ' A' ' 73' ' ' ILE . 6.0 t -174.83 151.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.456 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 t -167.72 138.04 2.79 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -154.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.85 -24.67 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.88 -169.59 34.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 12.8 mttt -97.35 115.55 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.594 ' CD2' ' HA ' ' A' ' 70' ' ' GLU . 5.5 m-85 -103.81 158.93 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.763 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -139.94 85.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.52 161.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -140.26 153.83 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.938 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.7 m-85 -113.86 145.98 40.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.4 ptmt -50.47 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.4 1.062 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -96.4 35.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 50.7 t0 -125.42 -44.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.938 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -37.73 151.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -91.14 161.81 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -51.91 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -40.04 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -61.79 -46.8 88.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.44 -58.56 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.2 mtt180 -56.62 -32.25 65.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -66.31 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.2 m -39.36 -37.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.54 -56.9 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.8 70.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.35 -39.36 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -41.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.61 -42.56 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.7 -47.33 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.78 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -170.73 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.22 167.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.412 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -139.84 169.83 17.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.396 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.6 mm -130.29 125.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 p -108.17 -31.15 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.63 156.95 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.95 170.33 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -134.1 87.08 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.01 58.38 5.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.78 166.32 36.56 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.935 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 39' ' ' MET . 18.1 Cg_endo -74.94 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.54 4.13 75.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -140.03 123.98 17.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 0.794 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.94 -171.83 13.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.757 ' CD1' HD12 ' A' ' 33' ' ' ILE . 23.2 p90 -159.56 162.51 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.763 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.23 133.82 45.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.86 -160.59 15.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.99 111.53 23.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.677 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 7.3 mp -115.0 -170.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.702 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -148.19 -175.85 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.702 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -52.5 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -53.75 -41.43 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.866 HD13 ' OE1' ' A' ' 58' ' ' GLN . 1.1 mt -51.4 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 90.1 m -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.1 -72.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.837 ' CE1' HD11 ' A' ' 68' ' ' ILE . 14.0 p90 -92.1 10.98 26.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.866 ' OE1' HD13 ' A' ' 54' ' ' LEU . 3.7 mt-30 -90.5 -46.73 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.44 60.54 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -73.78 -5.97 44.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.725 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 23.3 tt0 -39.19 152.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.59 -33.65 6.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.34 14.91 19.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.506 ' HB3' HD11 ' A' ' 60' ' ' LEU . 8.4 tp -159.72 -44.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.893 HG21 HD12 ' A' ' 68' ' ' ILE . 16.3 mm -106.14 124.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.68 -36.28 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -153.53 134.25 13.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.893 HD12 HG21 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.21 115.84 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.74 63.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.808 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -65.73 132.89 49.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.02 28.19 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.6 -118.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.35 94.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 74' ' ' VAL . 69.9 t -148.51 62.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -130.21 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.4 m -71.75 85.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.404 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -40.69 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.537 ' H ' HG23 ' A' ' 50' ' ' THR . . . -93.86 -15.27 25.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -167.3 32.04 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 10.0 ttpt -99.95 142.68 31.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.2 m-85 -129.81 165.95 20.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -138.38 104.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.08 165.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.589 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -137.92 171.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.928 ' HB3' HG11 ' A' ' 14' ' ' VAL . 9.1 m-85 -130.76 139.28 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.7 ptmt -50.0 177.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.0 34.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.469 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 29.9 t70 -124.49 -43.57 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.928 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.98 148.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -91.2 169.62 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 -53.11 46.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.9 -38.77 79.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.25 -46.59 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -52.7 -58.61 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' N ' HG22 ' A' ' 19' ' ' ILE . 13.9 mtt-85 -57.08 -32.65 66.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.1 mt-10 -65.12 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 m -38.83 -42.11 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 26' ' ' VAL . 21.5 mtmt -65.48 -55.69 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -39.31 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.89 67.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -73.65 -36.54 47.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.2 mm -58.55 -57.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.14 96.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.79 -66.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -169.46 -68.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.59 168.3 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.667 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -137.67 176.19 8.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.445 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' A' ' 45' ' ' PHE . 30.7 mm -131.32 129.77 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -113.06 -28.7 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -150.58 158.17 43.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -133.84 166.02 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.42 100.07 6.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.89 59.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.93 156.49 44.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.73 -5.02 6.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.82 102.92 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.632 ' HB3' HD11 ' A' ' 19' ' ' ILE . 30.2 mttm -106.39 88.74 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.19 -174.98 14.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 8' ' ' VAL . 9.1 p90 -160.65 161.91 32.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.12 135.65 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.36 -161.72 17.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.173 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 108.64 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.583 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 7.6 mp -110.61 -170.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.74 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -154.3 -172.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.74 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.03 -35.74 2.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -64.56 -61.38 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.335 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.2 m -54.77 -33.99 62.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.924 HD21 ' HG2' ' A' ' 70' ' ' GLU . 3.1 mt -50.82 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -39.12 -30.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.6 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.219 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.714 ' HE1' HD23 ' A' ' 54' ' ' LEU . 3.4 p90 -91.85 -34.25 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.857 ' HG3' HD22 ' A' ' 54' ' ' LEU . 1.2 mm-40 -40.03 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.82 -20.49 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD23 ' CD1' ' A' ' 64' ' ' LEU . 8.6 tp -90.23 21.57 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -62.34 168.97 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.25 14.02 24.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -121.59 -52.23 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.1 8.46 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.51 HD12 HD12 ' A' ' 68' ' ' ILE . 1.3 mm -129.59 112.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -39.5 24.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -152.99 140.76 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 57' ' ' PHE . 1.4 tt -127.39 128.89 70.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -125.35 79.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.924 ' HG2' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -68.17 136.81 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.87 13.53 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -73.84 150.35 42.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.574 1.171 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 73' ' ' ILE . 4.8 tp -128.67 108.54 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.3 t -89.14 66.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.0 m -141.4 -73.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.7 m -41.39 136.45 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -62.01 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.467 ' HB2' HG22 ' A' ' 50' ' ' THR . . . -88.85 -36.17 16.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.79 -168.47 40.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.068 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -98.63 123.04 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.548 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -112.4 160.71 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.31 98.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.668 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -106.48 168.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.52 162.85 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.92 ' HB3' HG11 ' A' ' 14' ' ' VAL . 21.4 m-85 -121.12 139.43 53.34 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.9 ptmt -47.83 175.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.45 36.34 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.482 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 17.7 t70 -123.96 -45.57 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.92 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.93 151.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -90.9 163.87 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.35 -53.49 55.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -38.67 74.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HB3' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -60.96 -46.64 89.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.804 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -53.13 -58.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 2.4 mtp180 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.99 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -41.89 -40.02 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 45' ' ' PHE . 25.8 mtmt -64.07 -51.65 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.203 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -51.92 -38.97 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -73.59 -32.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.745 HD13 ' HA ' ' A' ' 32' ' ' THR . 3.0 mm -64.3 -58.78 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.96 76.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.7 tm-20 -67.85 -71.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.37 -66.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.605 1.191 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.76 171.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.745 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -138.52 176.38 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 11.4 mm -133.05 130.9 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.514 HG23 ' OD1' ' A' ' 35' ' ' ASN . 6.5 t -115.12 -29.2 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' OD1' HG23 ' A' ' 34' ' ' THR . 9.5 m120 -160.29 117.16 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -96.26 166.07 11.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -115.98 87.9 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -88.1 77.19 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.91 155.22 55.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.58 -1.06 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -149.77 120.5 7.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.804 ' HB3' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -123.11 98.64 5.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.14 -170.4 20.03 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.668 ' CE2' HG22 ' A' ' 8' ' ' VAL . 21.7 p90 -156.84 159.58 38.34 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.69 128.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -163.53 -159.46 10.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.435 1.085 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.05 109.71 22.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.766 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 7.1 mp -111.57 -169.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.581 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -148.46 -175.69 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.1 Cg_endo -74.99 -37.91 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -65.46 -55.13 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 2.8 m -56.74 -34.09 67.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.967 HD22 ' HG3' ' A' ' 58' ' ' GLN . 1.4 mt -53.48 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.478 ' CA ' ' HB2' ' A' ' 58' ' ' GLN . 87.3 m -37.57 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.62 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.766 ' CZ ' HD23 ' A' ' 49' ' ' LEU . 10.4 p90 -92.38 -3.07 55.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.967 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.44 -76.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.89 -19.66 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 64' ' ' LEU . 11.1 tp -86.77 12.13 11.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.03 169.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.35 13.46 29.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.42 -53.28 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.603 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -138.51 11.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.38 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.53 114.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -81.59 -40.55 22.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.6 m -154.36 147.71 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.527 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -124.74 137.55 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -132.76 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -67.11 135.21 53.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -131.58 16.62 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -72.39 151.97 47.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.412 ' HA ' HD13 ' A' ' 73' ' ' ILE . 29.1 mm -122.64 136.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 75' ' ' THR . 76.1 t -115.63 -84.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER 67.15 150.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 m -41.14 115.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 5.0 m -115.64 -148.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.67 ' O ' HG22 ' A' ' 73' ' ' ILE . . . -80.0 -30.52 39.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.73 -161.55 35.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 2.1 mttm -98.17 148.52 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 15.7 m-85 -137.75 161.81 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -139.97 99.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.616 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -101.85 164.81 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -138.1 168.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.898 ' HB3' HG11 ' A' ' 14' ' ' VAL . 8.1 m-85 -134.03 143.64 48.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -54.91 178.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.57 36.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.6 t0 -125.12 -43.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.898 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.67 148.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -91.15 179.14 5.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -44.75 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.32 -38.07 88.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -45.95 91.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.15 -59.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.594 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.82 -31.67 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -65.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -41.44 -35.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -68.47 -56.38 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.55 -39.32 83.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -47.22 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -71.69 -50.74 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.473 ' N ' HG12 ' A' ' 26' ' ' VAL . 2.7 mm -43.98 -42.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.37 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' VAL . 17.0 tp10 -66.11 -71.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -162.28 -70.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.98 169.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.607 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -132.16 -175.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.383 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 45' ' ' PHE . 19.7 mm -134.61 131.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -113.97 -29.06 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.88 160.36 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -132.17 170.32 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.06 104.92 8.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -115.32 58.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 155.52 40.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.65 -12.74 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 113.48 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HB3' HD11 ' A' ' 19' ' ' ILE . 10.2 mtpt -115.79 93.87 4.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.08 -170.16 17.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 33' ' ' ILE . 13.1 p90 -158.16 161.43 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -130.2 151.89 50.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 -147.24 11.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -107.07 138.69 42.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.72 HD22 ' HZ ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -141.45 -169.0 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.716 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.31 -174.94 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.716 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.96 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -64.03 -52.37 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.9 m -55.74 -37.61 68.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.548 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 1.9 mt -52.37 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' LEU . 23.3 m -37.58 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -54.68 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.72 ' HZ ' HD22 ' A' ' 49' ' ' LEU . 11.7 p90 -92.83 7.06 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -90.2 -43.64 10.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.32 -34.94 57.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.61 1.194 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.66 -13.73 44.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -39.0 148.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.14 52.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -113.01 -32.43 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.561 ' O ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -136.76 8.66 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 109.243 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -135.45 109.97 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -32.37 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -158.46 153.15 24.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 109.937 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -139.68 139.06 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -134.42 75.43 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HB3' HD11 ' A' ' 54' ' ' LEU . 2.7 pm0 -69.09 134.25 49.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -134.99 28.36 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 149.83 51.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 3' ' ' ALA . 0.7 OUTLIER -119.95 149.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.336 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -94.75 -65.81 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 38.88 86.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 110.452 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' THR . 3.4 m -93.26 71.83 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -124.35 -172.03 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.36 -53.85 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.224 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.64 -165.68 38.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -98.23 114.44 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 m-30 -100.12 165.53 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.57 88.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.504 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -94.13 163.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.22 158.2 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.952 ' HB3' HG11 ' A' ' 14' ' ' VAL . 10.3 m-85 -116.91 136.93 52.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.8 ptmt -48.97 176.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -91.89 34.93 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.467 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 49.3 t0 -125.25 -43.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.952 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -39.43 153.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.76 161.83 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.02 -50.12 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.81 -38.11 86.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -46.5 89.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.66 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.416 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 44.9 mtt180 -57.27 -30.73 64.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.29 -67.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -37.74 -46.73 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 6.9 mtmt -62.14 -55.58 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.89 -39.31 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 tp10 -59.41 -35.29 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 HD21 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -77.1 -38.21 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.871 HD11 HG12 ' A' ' 33' ' ' ILE . 46.3 mm -57.29 -54.87 24.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.13 63.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 3.1 tt0 -50.88 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -159.41 -70.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.74 163.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -139.18 175.77 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 0.8 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.017 HG21 ' OE2' ' A' ' 36' ' ' GLU . 17.8 mm -127.14 134.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.9 p -113.01 -26.17 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.371 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -163.07 127.7 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.017 ' OE2' HG21 ' A' ' 33' ' ' ILE . 28.1 mm-40 -95.94 179.4 5.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -135.35 107.89 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.0 69.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -99.8 160.12 28.14 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.67 3.16 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 -12.13 69.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.9 ttt -125.53 117.88 24.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 0.792 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HG2' HD13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -124.64 113.16 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -154.07 -171.18 20.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 1.7 p90 -159.98 160.58 33.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.49 133.72 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -169.73 -163.86 24.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 130.98 46.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 53' ' ' SER . 2.6 mp -140.38 -170.46 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.711 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -143.32 -174.38 0.41 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.711 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.08 -21.34 15.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.28 -51.85 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.796 ' HB3' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -56.61 -40.8 75.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD23 ' NE2' ' A' ' 58' ' ' GLN . 1.1 mp -55.67 -68.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.8 m -37.61 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.79 -70.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.85 ' CE1' HD11 ' A' ' 68' ' ' ILE . 18.3 p90 -90.0 19.62 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.789 ' NE2' HD23 ' A' ' 54' ' ' LEU . 3.1 mt-30 -91.58 -76.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.15 -21.06 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 64' ' ' LEU . 3.1 tp -88.58 16.56 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -54.72 170.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.76 15.01 25.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -121.77 -48.05 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.637 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.86 10.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.636 HG21 HD12 ' A' ' 68' ' ' ILE . 1.3 mm -132.82 116.88 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.11 -42.76 13.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.1 m -145.01 152.9 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.85 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -139.92 120.39 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -119.2 82.62 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' HD22 ' A' ' 54' ' ' LEU . 8.6 tt0 -71.59 135.7 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -136.4 40.57 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.363 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.48 152.57 17.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.722 HD13 ' N ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -121.35 127.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.722 ' N ' HD13 ' A' ' 73' ' ' ILE . 85.6 t -124.52 -65.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -66.06 96.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 77' ' ' GLN . 4.0 t -125.76 -49.56 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' N ' HG23 ' A' ' 76' ' ' THR . 1.5 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -53.06 -173.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.501 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -115.78 52.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -176.37 54.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.8 155.98 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.8 m-85 -135.44 168.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.19 111.65 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.926 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -121.25 154.82 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.926 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -134.35 159.71 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.947 ' HB3' HG11 ' A' ' 14' ' ' VAL . 10.4 m-85 -116.58 144.39 44.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -47.74 174.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.34 35.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 57.6 t0 -124.15 -48.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.947 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -39.52 148.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.35 179.44 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.944 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 tt0 -71.54 -64.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.241 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' GLU . 5.4 t70 -39.04 -64.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 1.5 mttm -43.84 -45.57 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.88 -58.12 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 15.0 mtm180 -57.14 -31.91 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.3 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -38.1 -38.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -66.7 -55.94 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.46 -39.51 83.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.56 -45.06 62.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -44.43 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.81 -44.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.4 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.36 -72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.74 -71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.23 166.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.08 179.77 5.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.7 mm -130.81 130.89 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p -115.87 -30.35 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -152.9 160.01 43.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.065 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -132.42 171.34 13.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.502 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 66.6 m-85 -132.07 93.36 3.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -95.96 78.8 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 157.58 40.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -11.17 21.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.6 7.23 4.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 91.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.39 77.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.907 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -132.97 -171.27 12.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CE2' HG22 ' A' ' 8' ' ' VAL . 19.4 p90 -154.42 161.29 41.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -131.17 150.44 52.15 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.17 -150.77 14.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.49 134.1 42.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.77 -169.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -153.14 -178.02 0.8 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.02 -23.18 14.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -55.33 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 49' ' ' LEU . 1.7 m -55.69 -36.84 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.641 HD21 ' HB3' ' A' ' 70' ' ' GLU . 1.4 mp -56.94 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.5 m -37.74 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.81 -69.91 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.686 ' CE1' HD11 ' A' ' 68' ' ' ILE . 11.1 p90 -89.86 11.34 20.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.631 ' OE1' HD23 ' A' ' 54' ' ' LEU . 4.2 mt-30 -91.33 -58.27 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.93 76.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.7 tp -86.19 -11.25 52.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tt0 -38.44 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.3 -8.14 64.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.48 -33.78 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -142.47 11.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.452 HD11 ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -133.85 118.25 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -44.31 20.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -154.1 145.85 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.686 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -126.23 124.69 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.16 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -125.1 77.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.641 ' HB3' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -68.22 128.49 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -123.85 17.36 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -59.98 142.27 47.5 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 73' ' ' ILE . 24.8 mm -150.3 123.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.3 t -108.38 -86.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.1 m 40.92 59.19 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -161.68 -68.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m 70.46 171.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.005 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' O ' HG22 ' A' ' 73' ' ' ILE . . . -95.93 -24.42 16.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.65 -157.31 27.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -98.12 152.35 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.632 ' HB2' HD12 ' A' ' 49' ' ' LEU . 21.5 m-85 -138.72 159.09 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.17 99.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.746 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.5 m -107.67 168.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.11 174.61 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.885 ' HB3' HG11 ' A' ' 14' ' ' VAL . 6.7 m-85 -134.66 141.76 46.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -49.55 175.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.34 35.61 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.2 t70 -124.19 -45.27 1.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.885 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.42 148.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -91.25 179.67 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -76.0 -49.45 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.28 -45.01 88.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -59.99 -45.72 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -53.72 -57.81 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.2 mtt180 -58.01 -31.37 66.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.7 mt-10 -66.21 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' GLU . 86.3 m -37.75 -43.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.401 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' HG12 ' A' ' 26' ' ' VAL . 24.8 mtmt -64.3 -55.3 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.33 -39.42 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -37.78 65.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -79.43 -38.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.0 mm -57.05 -40.05 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.48 -41.55 21.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.27 -66.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -167.4 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.576 1.173 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.96 168.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.456 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -136.86 170.68 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.45 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 3.7 mm -126.83 129.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -111.7 -29.45 7.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.64 159.51 44.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.48 170.1 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -131.89 101.56 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -110.43 58.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.46 161.35 28.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 -10.03 31.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 ttm -126.96 106.03 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB3' HD11 ' A' ' 19' ' ' ILE . 11.9 mtmm -114.13 89.59 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.1 -171.91 14.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.746 ' CE2' HG22 ' A' ' 8' ' ' VAL . 24.5 p90 -161.05 160.82 31.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -129.97 147.77 51.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 173.05 -153.67 18.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 137.47 38.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 0.74 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' HB2' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -140.51 -167.71 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.05 -173.74 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.726 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.94 2.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.97 -59.01 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.551 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.1 m -57.18 -34.41 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.911 HD22 ' HG3' ' A' ' 58' ' ' GLN . 1.1 mt -49.98 -80.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.9 m -39.2 -32.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.09 -64.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.699 ' HE1' HD23 ' A' ' 54' ' ' LEU . 2.5 p90 -93.21 -13.05 28.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.911 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.76 -36.39 67.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.9 -47.83 36.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD1' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -85.22 -3.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 0.83 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 36.1 tt0 -39.36 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 90.44 -18.35 49.73 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.565 1.166 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -33.25 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.95 11.4 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.629 HD12 HD12 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.85 108.55 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.67 -36.51 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -151.72 152.45 32.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.629 HD12 HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -139.51 127.45 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -126.18 76.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.646 ' HG2' HD21 ' A' ' 54' ' ' LEU . 1.6 mt-10 -66.01 134.51 53.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.97 16.74 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -83.35 144.55 22.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.1 tt -83.32 127.45 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.01 97.39 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m 68.91 118.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -38.56 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' O ' HG21 ' A' ' 50' ' ' THR . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.8 OUTLIER -38.32 135.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.545 ' N ' HG23 ' A' ' 50' ' ' THR . . . -111.99 -30.31 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 -169.85 42.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -99.19 142.75 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 8.6 m-85 -129.65 167.56 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -139.46 91.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.749 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -96.0 163.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.438 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.2 158.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.933 ' HB3' HG11 ' A' ' 14' ' ' VAL . 21.4 m-85 -117.59 142.34 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.9 ptmt -50.87 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.7 35.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' VAL . 4.4 t70 -124.85 -44.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.933 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.48 150.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.65 179.99 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -61.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.58 -32.9 52.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -62.14 -46.36 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.568 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.28 -57.8 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.568 ' N ' HG22 ' A' ' 19' ' ' ILE . 36.9 mtt180 -57.46 -31.52 66.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.34 -65.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.438 HG21 ' HE1' ' A' ' 10' ' ' PHE . 52.6 m -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -63.75 -55.66 21.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.19 -38.89 59.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.24 78.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -71.86 -40.41 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 32' ' ' THR . 8.9 mm -58.38 -40.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.98 -16.83 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -86.25 -66.89 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -172.27 -56.74 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.06 169.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.528 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -138.31 175.92 9.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.343 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.603 HD12 ' CD1' ' A' ' 45' ' ' PHE . 4.8 mm -137.28 127.54 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -112.04 -27.7 8.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -154.04 158.6 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.05 171.08 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -129.28 115.34 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -120.42 60.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mmt -89.26 154.53 49.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 89.87 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 -12.38 9.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.17 120.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.804 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB3' HD11 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -120.57 104.13 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -148.75 -170.71 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.749 ' CE2' HG22 ' A' ' 8' ' ' VAL . 9.6 p90 -163.11 162.41 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -129.06 135.35 48.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -164.65 -163.49 17.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.6 103.99 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 5.6 mp -105.57 -170.27 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.572 HG21 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -154.46 -177.43 0.73 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.05 -25.53 11.7 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.5 1.789 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -74.93 -60.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 110.227 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -39.14 56.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -54.97 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.1 m -37.62 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.69 -74.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.804 ' HE1' HD11 ' A' ' 68' ' ' ILE . 34.4 p90 -91.75 27.03 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 1.6 mt-30 -86.59 -84.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.12 -21.41 8.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.697 HD23 ' CD1' ' A' ' 64' ' ' LEU . 6.6 tp -73.71 -3.82 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -42.92 166.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.85 51.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -121.35 -54.29 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.697 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -132.67 0.16 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.615 HG12 HD22 ' A' ' 64' ' ' LEU . 1.7 mm -126.7 116.5 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -151.3 151.95 32.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.804 HD11 ' HE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -140.52 115.17 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.27 98.38 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.847 ' HG2' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -83.39 131.04 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.77 23.75 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.45 18.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.6 mt -139.77 147.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -99.21 84.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -83.72 -62.6 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 m 39.13 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 p 61.93 134.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.969 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -125.82 3.58 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 -170.12 21.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 3.4 pttt -99.61 145.69 27.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.4 0.706 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.4 m-85 -130.77 165.85 22.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.21 96.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.878 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -111.68 156.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.922 HG23 ' HA3' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -133.08 173.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' HG11 ' A' ' 14' ' ' VAL . 5.2 m-85 -123.67 153.16 41.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' CD ' ' HB2' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -68.87 -167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -100.93 36.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' HB2' ' CD ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -126.13 -42.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -37.7 151.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.42 173.83 7.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -60.85 2.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.35 86.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.598 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.76 -58.86 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.598 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -56.14 -32.91 64.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -66.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 m -38.98 -40.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.4 -54.78 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -39.59 86.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -55.77 -34.45 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -80.58 -41.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -54.36 -49.5 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.9 -52.34 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 9.7 tt0 -47.17 -71.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.51 -70.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -42.72 166.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.494 ' O ' HD13 ' A' ' 33' ' ' ILE . 1.1 m -130.81 -175.55 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 32' ' ' THR . 25.6 mm -140.11 127.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 t -113.77 -31.33 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.11 159.53 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.03 166.49 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 73.7 m-85 -124.91 95.0 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -107.14 58.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.14 165.14 15.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 80.83 2.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.26 -3.47 8.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.01 88.05 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -99.16 71.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.922 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -134.47 -169.72 12.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.3 p90 -158.21 165.68 34.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 0.728 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -135.31 139.28 44.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 179.04 -147.16 7.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.94 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.6 mt-10 -100.97 138.47 37.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.357 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.94 HD12 ' O ' ' A' ' 48' ' ' GLU . 4.8 mp -141.58 -166.24 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.621 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -160.85 -177.79 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -54.75 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.567 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.28 -38.81 69.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 50' ' ' THR . 3.1 mp -53.4 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -37.74 -30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -57.95 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 2.6 p90 -91.26 9.52 31.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 54' ' ' LEU . 7.9 mt-30 -92.18 -34.92 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.53 19.12 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.02 -4.37 37.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -39.58 145.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.02 -41.87 2.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.6 1.188 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -101.65 12.67 36.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.769 HD23 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -160.4 -48.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -91.6 117.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -82.33 -40.85 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 141.13 19.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -126.46 111.13 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -109.04 68.92 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.58 121.09 13.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -116.6 12.54 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.51 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -80.12 150.66 32.38 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' ALA . 24.3 mt -96.84 108.01 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.485 ' O ' HG12 ' A' ' 74' ' ' VAL . 72.6 t -90.6 59.77 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' THR . 2.6 m -129.7 -62.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' THR . 4.9 t 37.34 56.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p -68.55 164.09 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' N ' HG23 ' A' ' 50' ' ' THR . . . -102.84 -14.03 16.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.19 -165.95 28.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.406 1.066 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 55.1 mttt -99.01 141.79 31.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 4.2 m-85 -129.3 165.96 20.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.41 103.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -109.83 160.81 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -140.56 155.15 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.948 ' HB3' HG11 ' A' ' 14' ' ' VAL . 47.3 m-85 -114.63 149.67 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.1 ptmt -51.57 -177.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.48 36.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -127.49 -45.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.948 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -39.24 148.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -91.43 178.98 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -56.07 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -46.8 -45.56 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -51.97 -58.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.597 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.85 -32.84 66.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.4 mt-10 -65.01 -65.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -38.85 -39.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.36 -56.03 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.47 -39.86 85.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -51.02 -41.54 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -38.59 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.0 mm -55.35 -57.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.55 94.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.59 -70.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.73 -66.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.8 167.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.472 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -135.04 177.78 7.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 0.749 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 45' ' ' PHE . 12.5 mm -134.73 127.5 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -111.75 -28.99 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -151.51 155.42 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.61 167.32 20.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.07 84.72 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 38' ' ' ASN . 1.6 p-10 -87.66 79.64 8.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.03 171.78 4.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.46 0.19 89.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.587 1.179 . . . . 0.0 110.974 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.13 110.27 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 89.64 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -146.59 -170.84 15.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.0 p90 -156.01 163.34 39.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.499 0.764 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.42 136.27 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -170.25 -160.4 18.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.52 107.7 19.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.585 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 7.5 mp -107.96 -169.66 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.703 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.71 -172.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.703 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.05 -37.19 2.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.11 -61.48 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.2 m -54.46 -34.3 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.895 HD21 ' HG2' ' A' ' 70' ' ' GLU . 3.9 mt -50.1 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 m -39.0 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.92 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.74 ' HE1' HD23 ' A' ' 54' ' ' LEU . 1.2 p90 -91.77 -25.22 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.651 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.72 -41.39 61.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.86 -47.52 7.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.038 HD23 ' CD2' ' A' ' 64' ' ' LEU . 21.7 tp -65.25 -12.34 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.1 OUTLIER -43.5 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.226 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.81 -37.31 3.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.61 23.63 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.038 ' CD2' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -160.3 -61.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.635 HG21 HD12 ' A' ' 68' ' ' ILE . 1.5 mt -94.05 130.44 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -84.74 -44.48 13.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -149.68 135.52 18.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -114.49 130.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -125.86 72.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.895 ' HG2' HD21 ' A' ' 54' ' ' LEU . 3.4 mt-10 -63.89 130.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.16 29.8 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.42 -73.29 1.18 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -79.94 115.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.87 125.05 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.4 m -51.61 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -141.84 124.01 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' GLY . 5.3 m 49.39 -178.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.947 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.34 -5.66 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -174.87 23.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 8.7 mtmm -98.87 134.3 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.848 ' HB2' HD12 ' A' ' 49' ' ' LEU . 5.1 m-85 -120.66 167.99 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.635 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.3 90.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 9' ' ' ILE . 1.6 m -95.34 165.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -140.13 163.66 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.919 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.1 m-85 -126.33 149.42 49.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 14' ' ' VAL . 13.8 ptmt -60.1 176.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -92.25 36.36 0.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.2 m-20 -128.93 -41.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.919 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -35.61 147.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.04 160.65 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.21 -51.74 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -46.33 90.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -55.1 -59.01 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.2 mtt180 -55.98 -31.04 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.68 -67.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -42.57 -40.76 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.92 -50.61 61.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.8 -41.04 94.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.03 -43.37 66.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG22 ' OG ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -71.17 -40.0 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.4 mm -53.2 -55.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.6 88.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.97 -75.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -157.35 -72.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.449 1.093 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.89 164.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.529 ' HA ' HD13 ' A' ' 27' ' ' ILE . 1.6 m -134.19 -173.6 3.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' H ' HG22 ' A' ' 32' ' ' THR . 5.3 mm -138.86 127.68 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -112.92 -31.8 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -145.34 160.11 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.15 169.75 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.86 90.28 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -97.69 72.44 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 157.45 34.09 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 95.82 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.98 -13.2 22.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 ttt -127.81 119.83 26.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -119.69 86.71 2.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.49 -173.38 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.7 p90 -168.84 163.64 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.635 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -133.06 146.79 52.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 175.07 -145.16 7.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.19 140.01 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 6' ' ' PHE . 12.3 mt -141.91 -169.37 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.542 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -161.2 -176.39 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.07 -31.04 6.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.568 1.826 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -55.5 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.528 ' OG ' HG22 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -54.65 -39.71 68.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.523 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 2.2 mt -51.43 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -38.36 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -55.06 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 68' ' ' ILE . 9.9 p90 -91.93 5.5 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.9 mm100 -90.79 122.02 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.082 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.81 -41.22 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.415 1.072 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.839 HD21 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -77.45 -0.71 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -39.55 157.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.16 -19.71 33.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' HB3' HD12 ' A' ' 60' ' ' LEU . 1.8 t0 -117.86 -6.0 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.839 HD23 HD21 ' A' ' 60' ' ' LEU . 2.2 tp -157.53 -54.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.488 HG21 HD13 ' A' ' 68' ' ' ILE . 46.4 mm -89.76 117.1 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -85.1 -31.1 23.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -165.88 135.02 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -114.7 142.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -136.58 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.603 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.82 137.42 57.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -136.23 15.63 3.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . -76.71 -69.9 1.34 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.12 127.61 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.1 t -122.57 146.04 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 75' ' ' THR . 14.0 m -144.47 61.77 1.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.6 p -126.4 155.26 42.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 168.09 118.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 50' ' ' THR . . . -142.64 70.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.1 -178.32 0.59 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.52 127.63 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 3' ' ' ALA . 12.0 m-30 -102.87 163.96 11.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.83 HG22 ' HB2' ' A' ' 46' ' ' ALA . 5.6 pt -140.76 94.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.943 ' C ' HD13 ' A' ' 9' ' ' ILE . 10.3 m -99.15 157.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.943 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.71 167.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.887 ' HB3' HG11 ' A' ' 14' ' ' VAL . 8.2 m-85 -129.64 140.48 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' PHE . 14.4 ptmt -50.61 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -95.5 35.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.887 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.17 152.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.4 ' O ' HG22 ' A' ' 14' ' ' VAL . 7.0 p -90.6 173.88 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.62 -44.04 44.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -40.34 94.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 6.6 mtpt -60.37 -46.22 90.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.624 1.202 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.93 -59.0 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' N ' HG22 ' A' ' 19' ' ' ILE . 34.8 mtt180 -56.41 -31.39 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -66.69 -67.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 m -39.96 -37.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -67.0 -56.48 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.61 -39.51 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.57 -40.44 65.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -77.64 -47.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.437 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 1.9 mm -48.04 -40.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.96 -46.58 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.4 -70.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.55 -70.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.8 166.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -131.82 -179.67 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 45' ' ' PHE . 25.4 mm -130.06 133.13 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.667 HG22 ' HA2' ' A' ' 47' ' ' GLY . 15.0 t -114.47 -26.34 7.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.364 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.563 ' ND2' HG23 ' A' ' 34' ' ' THR . 74.3 m-20 -159.54 163.81 34.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.49 167.15 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.44 90.52 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.19 54.85 1.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.409 ' HB2' ' CB ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -88.47 165.29 28.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.69 20.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.6 3.5 5.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -135.56 92.07 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.937 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -100.69 70.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.749 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -137.85 -169.06 11.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.699 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 9.7 p90 -153.91 165.35 36.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 7' ' ' ILE . . . -132.48 160.56 36.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.667 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 158.15 -154.64 25.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.97 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.23 -168.1 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.746 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -158.41 -175.2 0.49 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.99 -24.67 12.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.581 1.832 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -61.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.491 ' CB ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -53.76 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.4 m -37.28 -30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.88 -71.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.854 ' CE1' HD11 ' A' ' 68' ' ' ILE . 23.8 p90 -92.78 14.28 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -90.3 -46.65 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -29.95 62.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -90.22 -21.12 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -38.69 158.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 99.69 -23.27 36.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.92 -28.18 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.707 HD22 HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -134.05 1.04 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.707 HG12 HD22 ' A' ' 64' ' ' LEU . 1.3 mm -131.67 112.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -80.62 -43.48 20.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 2.8 m -137.77 149.72 46.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.854 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -141.0 109.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 99.45 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' A' ' 54' ' ' LEU . 4.4 mp0 -104.89 120.32 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -112.81 66.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.27 -60.42 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.19 84.88 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' THR . 80.8 t -102.43 -64.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -38.39 106.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -97.03 81.57 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -98.3 171.21 8.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.052 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.06 -7.48 56.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.229 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.29 -164.57 28.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -98.88 140.91 32.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 6.9 m-85 -132.57 153.9 50.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.958 HG22 ' CB ' ' A' ' 46' ' ' ALA . 11.8 pt -140.38 103.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.912 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.47 164.04 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.912 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -132.79 173.32 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.94 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.8 m-85 -122.0 156.78 32.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.8 ptmt -50.71 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -98.56 37.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 13.6 t0 -131.57 -44.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.94 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -38.77 150.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 p -91.74 177.61 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.78 -40.3 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.98 -61.17 2.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -51.3 -45.42 62.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.4 -58.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.379 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -55.99 -32.73 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.06 -66.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.391 1.057 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -43.63 -37.14 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -65.72 -51.01 62.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.48 -40.88 98.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.5 mt-10 -54.07 -41.12 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -76.18 -39.88 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.519 HD11 ' CG1' ' A' ' 33' ' ' ILE . 1.9 mm -49.73 -55.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -72.76 -57.97 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -37.83 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -154.96 -73.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.23 170.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -139.99 -175.79 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' CG1' HD11 ' A' ' 27' ' ' ILE . 4.8 mm -137.93 125.21 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -115.4 -32.08 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -152.9 108.51 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.09 165.61 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 25.4 m-85 -118.62 81.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -83.39 80.25 9.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.78 160.84 54.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.41 4.75 73.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 95.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HB2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.13 82.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.869 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -140.18 -170.69 12.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 4.4 p90 -148.21 160.77 42.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.958 ' CB ' HG22 ' A' ' 7' ' ' ILE . . . -138.38 122.97 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.03 -133.18 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -116.25 141.05 48.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 1.1 mt -141.72 -167.77 2.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.754 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -154.35 -174.19 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.438 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.714 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.04 -34.29 3.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.45 -58.49 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.8 OUTLIER -54.71 -35.3 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 50' ' ' THR . 1.8 mp -51.86 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -38.14 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -54.45 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.667 ' HB2' HD11 ' A' ' 65' ' ' ILE . 1.7 p90 -88.34 -2.33 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.7 mm-40 -81.32 120.3 24.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.91 -28.6 9.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -75.35 -8.66 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' HG2' HG22 ' A' ' 65' ' ' ILE . 21.8 mt-30 -39.98 147.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.65 -23.32 16.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -4.36 10.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 0.715 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 65' ' ' ILE . 1.2 tp -159.94 -65.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 57' ' ' PHE . 3.1 mt -79.6 126.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -92.37 -40.2 11.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -152.47 135.46 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.63 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -122.0 125.17 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.61 72.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 1.9 pp20? -69.03 131.54 45.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 27.96 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -94.84 148.9 19.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.8 mt -141.71 142.22 28.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -115.24 -80.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -48.38 138.8 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -96.61 -54.11 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -70.89 -141.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.481 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -92.66 24.8 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.79 -172.4 14.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 40.6 mttt -104.25 145.44 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.3 m-85 -129.15 164.38 23.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -139.61 101.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG22 ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.06 155.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -132.0 170.23 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.707 ' HB3' HG11 ' A' ' 14' ' ' VAL . 5.1 m-85 -130.19 141.29 50.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -52.21 174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.0 36.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.8 t70 -124.79 -43.09 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.707 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -39.83 153.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -90.82 163.31 14.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -65.26 -46.33 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.85 -40.81 94.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -60.79 -45.97 92.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.38 -58.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.597 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.6 mtt180 -56.38 -30.82 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.03 -67.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -41.19 -35.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -67.86 -54.97 14.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.41 -42.7 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -70.57 -40.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -55.03 -55.31 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.34 -72.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -164.35 -70.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.66 164.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.93 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.58 128.76 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.504 HG23 ' ND2' ' A' ' 35' ' ' ASN . 14.3 t -113.56 -31.39 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' ND2' HG23 ' A' ' 34' ' ' THR . 30.5 m-20 -146.67 111.21 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 166.86 11.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -120.67 86.6 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -93.07 75.81 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.87 170.77 5.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.28 -1.79 88.56 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.483 ' HE1' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.94 133.62 44.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.584 0.814 . . . . 0.0 110.991 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HB3' HD11 ' A' ' 19' ' ' ILE . 20.0 mtpt -142.69 88.63 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -155.24 -168.65 18.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 8' ' ' VAL . 32.3 p90 -159.91 159.59 32.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -130.56 136.05 48.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -174.24 -154.04 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.971 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' LEU . 10.0 mm-40 -100.87 121.45 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 6.6 mp -122.47 -169.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.8 -176.02 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.91 -27.93 9.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -61.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -50.34 -39.96 47.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.822 HD11 ' HG2' ' A' ' 70' ' ' GLU . 1.8 mt -51.8 -71.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 ' CA ' ' HB2' ' A' ' 58' ' ' GLN . 79.6 m -36.93 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -58.22 -71.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.697 ' CE1' HD23 ' A' ' 54' ' ' LEU . 20.0 p90 -93.08 17.26 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.607 ' NE2' HD13 ' A' ' 54' ' ' LEU . 2.8 mt-30 -90.2 -45.64 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.26 -35.48 29.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.72 -20.0 43.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 5.0 tt0 -39.08 147.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 106.99 -21.85 30.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -108.67 -27.81 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.631 HD22 HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -136.07 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.631 HG12 HD22 ' A' ' 64' ' ' LEU . 1.2 mm -135.3 118.29 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -81.47 -47.04 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -144.69 154.84 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.602 HD12 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -134.96 116.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -113.28 73.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.822 ' HG2' HD11 ' A' ' 54' ' ' LEU . 2.6 mt-10 -67.26 132.26 47.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.11 28.62 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.544 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -76.46 142.12 27.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -147.05 156.51 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 74' ' ' VAL . 87.6 t -116.02 70.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.95 142.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -54.46 142.42 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.427 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.468 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.18 -168.13 20.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 11.3 ttpt -99.4 146.94 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.3 m-85 -132.49 168.33 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -140.47 108.13 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG22 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.56 159.72 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -137.44 152.74 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.958 ' HB3' HG11 ' A' ' 14' ' ' VAL . 59.3 m-85 -113.65 139.96 48.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -49.02 177.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.54 34.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 38.1 t0 -124.88 -41.91 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.958 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.17 153.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.86 168.08 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -56.19 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.83 -33.17 68.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.64 -46.4 89.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -54.64 -58.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.8 mtp180 -56.25 -30.55 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.11 -67.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -42.62 -46.59 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HD2' ' CD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.76 -47.43 83.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.62 -39.4 91.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.22 -34.31 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -78.94 -37.43 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -59.55 -50.37 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.88 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -53.3 -70.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -163.98 -68.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.56 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.1 -177.78 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 110.386 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.588 HD12 ' CD2' ' A' ' 45' ' ' PHE . 5.7 mm -132.45 131.96 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 47' ' ' GLY . 7.0 t -114.02 -29.32 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ALA . 5.0 t-20 -151.77 161.96 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.38 99.64 5.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -106.2 70.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.87 161.5 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 104.49 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.33 60.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.9 ttm -123.07 117.14 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.78 ' HB3' HD11 ' A' ' 19' ' ' ILE . 15.9 mtmm -121.15 92.72 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.23 -172.95 13.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.714 ' CE1' HG22 ' A' ' 8' ' ' VAL . 29.5 p90 -164.98 161.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.58 142.84 49.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 179.79 -149.04 8.34 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.909 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.2 mt-10 -102.08 130.72 48.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 48' ' ' GLU . 7.7 mp -135.09 -169.2 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.694 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.27 -175.52 0.52 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.694 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.03 -29.11 8.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.576 1.829 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -61.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -37.48 46.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.609 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 mp -53.05 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m -37.12 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.04 -71.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.24 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.713 ' CE1' HD11 ' A' ' 68' ' ' ILE . 6.3 p90 -90.71 16.75 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -91.5 -38.88 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.62 -42.57 7.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.777 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -70.43 -7.14 40.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -43.22 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.8 -41.93 3.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.83 23.73 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 60' ' ' LEU . 3.4 tp -160.13 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 68' ' ' ILE . 1.5 mt -93.9 126.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.28 -40.43 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 m -147.34 138.67 23.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -125.09 132.38 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -137.32 102.66 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.462 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -87.22 134.14 33.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -127.48 15.66 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.49 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 -165.57 13.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 8.4 ptmm? -98.91 155.7 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 18.9 m-85 -138.08 166.32 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.35 93.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.736 HG22 ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -103.0 160.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -139.4 150.58 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.929 ' HB3' HG11 ' A' ' 14' ' ' VAL . 48.3 m-85 -108.99 145.02 36.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.2 ptmt -51.34 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -96.61 35.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.72 -45.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.929 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.64 150.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 p -91.07 165.05 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -47.09 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.2 -38.94 93.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.93 91.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.67 -58.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 84.4 mtt-85 -57.36 -30.55 64.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.62 -66.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -38.76 -40.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -63.73 -55.6 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.99 -42.35 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.19 -38.55 58.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.46 -42.13 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.554 HD11 ' CG1' ' A' ' 33' ' ' ILE . 6.2 mm -50.27 -52.17 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.16 -58.21 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.2 tp10 -38.62 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -165.84 -67.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.34 164.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -130.31 179.48 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.433 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.613 HD12 ' CD2' ' A' ' 45' ' ' PHE . 19.8 mm -136.04 128.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.444 HG22 ' HA2' ' A' ' 47' ' ' GLY . 7.1 t -113.31 -29.66 7.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -152.38 162.56 41.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -137.24 167.67 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 79.4 m-85 -128.25 91.03 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.87 78.44 5.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.454 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.1 OUTLIER -107.13 172.43 3.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.56 -4.28 85.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 7.8 ttm -125.39 126.44 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 19' ' ' ILE . 39.0 mttp -134.95 94.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -145.36 -171.05 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.736 ' CE1' HG22 ' A' ' 8' ' ' VAL . 30.0 p90 -158.68 160.26 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -130.33 140.3 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' HA2' HG22 ' A' ' 34' ' ' THR . . . -179.55 -149.35 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.96 135.47 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.678 HD22 ' HZ ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -141.94 -169.0 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.69 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.46 -175.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.69 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -70.84 -57.17 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.5 m -55.06 -37.03 66.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.039 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.575 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.7 mp -54.17 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 10.9 m -37.79 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.38 -69.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.806 ' HE1' HD11 ' A' ' 68' ' ' ILE . 8.2 p90 -91.29 5.44 49.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.571 ' HG2' HD13 ' A' ' 68' ' ' ILE . 4.8 mt-30 -91.24 -37.32 13.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.22 -29.58 64.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -95.51 -0.41 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' LEU . 1.3 tt0 -39.91 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.2 -43.39 3.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.09 14.66 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.738 ' CD2' HD21 ' A' ' 60' ' ' LEU . 17.7 tp -157.91 -70.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.701 HG21 HD12 ' A' ' 68' ' ' ILE . 20.4 mm -80.52 126.68 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.91 -40.91 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 m -152.24 135.8 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.806 HD11 ' HE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -115.11 133.03 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -126.23 71.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 15.7 tt0 -64.16 123.79 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -120.51 8.95 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.52 -160.35 32.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 27.4 mtmt -98.11 119.71 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.815 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -109.93 160.35 16.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.64 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.38 109.16 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.733 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -110.89 166.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.58 162.47 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.868 ' HB3' HG11 ' A' ' 14' ' ' VAL . 15.3 m-85 -124.01 137.93 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.3 ptmt -49.46 177.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -93.49 34.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 20.2 t70 -123.94 -43.59 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.868 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.94 152.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -90.56 163.41 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -52.91 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -36.9 72.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -61.44 -46.39 90.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.589 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.51 -58.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.363 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.589 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -56.72 -31.46 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.81 -66.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -38.66 -36.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.08 -58.2 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -38.55 81.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -38.77 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -75.69 -38.56 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.73 -50.86 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.31 75.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -69.76 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.98 -67.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.32 163.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.89 164.17 25.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' CD1' ' A' ' 45' ' ' PHE . 24.9 mm -120.56 124.83 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.9 p -111.21 -31.16 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.09 157.82 43.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.63 1.206 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -133.68 166.93 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -125.87 94.26 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -96.46 77.55 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -110.11 153.78 43.08 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.152 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.55 12.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.92 -9.5 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -143.13 143.16 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 0.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB3' HD11 ' A' ' 19' ' ' ILE . 24.8 mmtt -139.08 92.33 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.59 -171.09 15.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.589 1.181 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.733 ' CE2' HG22 ' A' ' 8' ' ' VAL . 23.6 p90 -156.29 163.7 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.64 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . . . -131.98 149.17 52.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 174.84 -157.53 24.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.24 123.86 43.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.805 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 8.0 mp -129.07 -170.46 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.33 -174.47 0.41 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.726 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.33 -58.53 5.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.451 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 3.1 m -55.52 -32.33 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.066 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.801 HD23 ' CE1' ' A' ' 57' ' ' PHE . 5.9 mt -54.03 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -39.94 -31.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -67.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.805 ' HZ ' HD23 ' A' ' 49' ' ' LEU . 10.9 p90 -91.3 -40.83 11.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -46.82 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.58 -21.37 4.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.076 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 64' ' ' LEU . 14.6 tp -90.82 22.27 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -59.34 167.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 13.07 43.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.442 1.089 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.47 -61.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -130.89 5.74 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.694 HD12 HD12 ' A' ' 68' ' ' ILE . 0.7 OUTLIER -124.08 114.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -37.89 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.0 m -153.91 148.29 26.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.75 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -133.77 132.89 56.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.96 81.04 1.97 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -75.37 133.77 41.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.96 22.82 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.561 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.537 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.12 -170.31 30.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 22.0 mttt -104.55 155.27 18.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 7.6 m-85 -137.12 165.83 25.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mt -140.58 96.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -105.99 163.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -137.55 176.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.95 ' HB3' HG11 ' A' ' 14' ' ' VAL . 64.5 m-85 -136.33 143.24 44.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -50.2 178.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.92 34.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 16.9 t70 -124.8 -43.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.95 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.31 152.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.257 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.73 175.11 7.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -53.09 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -58.21 -36.86 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -46.23 91.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.584 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.71 -58.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.584 ' N ' HG22 ' A' ' 19' ' ' ILE . 23.8 mtt180 -56.79 -30.65 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.78 -66.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.9 m -39.2 -41.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -62.92 -54.29 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.44 -39.65 76.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -41.25 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -42.96 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.19 -41.47 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.09 -40.08 28.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.64 -66.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.78 -65.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.82 166.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.72 -179.35 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -136.01 129.77 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.3 p -110.93 -31.04 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.187 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -150.98 161.78 42.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -134.24 167.38 20.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.82 94.96 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -99.17 76.1 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.9 mtt -112.76 155.45 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.54 15.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.78 -15.06 15.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 ttm -136.58 132.2 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.47 89.85 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -150.75 -167.67 14.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 7.4 p90 -153.1 167.15 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.09 139.21 39.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.88 -146.08 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.88 136.45 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -142.08 -166.57 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -154.23 -179.85 1.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.58 -55.06 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.492 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -52.46 -43.03 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.931 HD21 ' HB2' ' A' ' 70' ' ' GLU . 2.0 mp -52.25 -70.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.6 m -37.74 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -58.53 -69.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.793 ' CE1' HD11 ' A' ' 68' ' ' ILE . 14.8 p90 -90.87 10.16 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.916 ' HG2' HD13 ' A' ' 68' ' ' ILE . 9.4 mt-30 -91.17 -52.48 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.35 97.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -8.51 59.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 6.5 tt0 -39.86 148.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.01 54.75 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -126.9 4.21 6.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 4.3 tp -152.04 -48.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.608 HG21 HD12 ' A' ' 68' ' ' ILE . 20.3 mm -99.0 123.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -85.57 -35.89 20.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -153.16 136.38 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.916 HD13 ' HG2' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -119.83 114.5 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -112.14 67.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.931 ' HB2' HD21 ' A' ' 54' ' ' LEU . 12.4 tt0 -61.66 126.85 28.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.2 19.01 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.394 1.059 . . . . 0.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 111.032 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 -162.03 23.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 13.2 mttm -98.31 153.67 18.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 20.5 m-85 -139.66 161.71 36.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mt -140.45 101.66 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -110.94 162.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -137.35 164.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.918 ' HB3' HG11 ' A' ' 14' ' ' VAL . 56.7 m-85 -124.16 146.68 48.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.0 ptmt -52.01 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.37 35.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' VAL . 3.2 m-20 -125.36 -44.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.918 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.4 146.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.3 p -91.34 166.74 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -47.05 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -59.84 -42.38 93.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -46.83 88.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.585 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.36 -58.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.585 ' N ' HG22 ' A' ' 19' ' ' ILE . 22.5 mtt180 -56.77 -30.59 63.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.92 -67.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 m -41.01 -40.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.49 -53.8 42.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -39.43 85.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -55.71 -36.04 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -79.19 -38.43 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 32' ' ' THR . 1.7 mm -57.3 -51.32 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.5 -49.85 30.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 26.8 tt0 -49.06 -68.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.94 -69.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -44.48 169.77 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.508 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -140.01 174.6 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.388 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.729 HD12 ' CD1' ' A' ' 45' ' ' PHE . 39.9 mm -125.7 129.3 72.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -112.56 -30.68 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.12 161.05 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -134.86 167.79 20.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.85 96.07 4.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -92.76 79.56 4.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.45 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -99.75 170.7 6.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 0.91 75.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.45 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -130.49 136.31 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -139.24 97.84 3.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.43 -171.86 12.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.729 ' CD1' HD12 ' A' ' 33' ' ' ILE . 24.4 p90 -158.09 163.64 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.99 145.22 49.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 178.72 -149.4 8.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -105.87 129.65 53.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -135.47 -168.88 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.734 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -153.75 -173.65 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.734 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.99 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.0 -61.19 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 2.2 m -55.88 -34.15 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.1 mt -52.46 -81.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -38.8 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.51 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.838 ' CE1' HD11 ' A' ' 68' ' ' ILE . 9.8 p90 -92.72 -8.27 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.669 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -74.88 -40.09 61.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.17 -53.27 43.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD21 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.76 -2.19 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.358 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 17.9 tt0 -39.77 146.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 61' ' ' GLN . . . 99.57 -27.77 18.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.63 2.95 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.728 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.7 tp -151.97 -46.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.85 HG21 HD12 ' A' ' 68' ' ' ILE . 25.9 mm -98.89 119.1 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.1 -38.93 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -148.56 136.78 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.85 HD12 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -121.12 120.19 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -121.28 70.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 126.75 28.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -124.5 19.36 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.093 0 O-C-N 124.535 1.147 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.23 -161.27 33.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 77.4 mttt -97.78 113.06 24.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.381 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.646 ' HE2' HD11 ' A' ' 54' ' ' LEU . 5.9 m-85 -102.57 164.33 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.46 98.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.668 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -101.78 164.85 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.642 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -139.71 174.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.934 ' HB3' HG11 ' A' ' 14' ' ' VAL . 17.5 m-85 -134.14 142.69 47.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -54.71 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.86 36.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -124.54 -45.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.934 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.78 149.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.01 -178.03 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.33 -57.45 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -33.8 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' A' ' 14' ' ' VAL . 11.7 mptt -62.24 -46.02 90.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.1 -57.62 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.8 mtp180 -58.29 -32.84 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.4 mt-10 -64.18 -64.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 HG21 ' HE1' ' A' ' 10' ' ' PHE . 24.1 m -38.72 -45.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -62.73 -53.41 54.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -39.47 74.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -43.86 64.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -50.29 -43.0 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.95 -24.02 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -76.09 -71.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.35 -70.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.79 168.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.453 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -138.17 -179.68 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.395 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.8 HD12 ' CD1' ' A' ' 45' ' ' PHE . 14.8 mm -123.89 133.25 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.462 HG22 ' HA2' ' A' ' 47' ' ' GLY . 6.4 t -114.13 -26.36 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 46' ' ' ALA . 1.1 m-80 -155.23 163.69 39.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.177 . . . . 0.0 109.202 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -134.26 169.68 16.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.633 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 78.5 m-85 -128.04 90.92 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -90.29 79.73 6.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.08 164.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -65.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 1.17 76.24 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.497 1.123 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.13 133.87 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 0.764 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 94.93 2.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.47 -168.45 13.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.8 ' CD1' HD12 ' A' ' 33' ' ' ILE . 17.6 p90 -155.77 161.31 40.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -127.96 153.35 46.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 169.14 -158.74 31.44 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.4 tt0 -99.23 136.99 38.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 48' ' ' GLU . 2.8 mp -141.18 -168.0 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.731 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.45 -174.39 0.4 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.456 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.731 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.0 -33.62 4.44 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.17 -52.04 51.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -58.26 -36.64 73.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.682 HD23 ' CE1' ' A' ' 57' ' ' PHE . 7.4 mt -52.37 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -39.48 -32.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -49.77 -68.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 68' ' ' ILE . 12.5 p90 -91.0 -41.24 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.57 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -53.48 -38.1 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -54.47 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -79.0 1.79 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' PHE . 45.9 tt0 -39.28 158.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 87.84 -0.74 84.73 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 60' ' ' LEU . 9.2 t70 -117.15 -44.77 2.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -131.66 2.25 4.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 68' ' ' ILE . 2.0 mm -120.08 115.22 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -84.6 -36.02 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.6 m -157.34 151.35 24.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -140.13 133.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.43 81.64 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.3 tt0 -70.95 132.93 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -133.35 12.43 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.46 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.571 1.17 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.88 -169.59 34.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 12.8 mttt -97.35 115.55 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.594 ' CD2' ' HA ' ' A' ' 70' ' ' GLU . 5.5 m-85 -103.81 158.93 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.763 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -139.94 85.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.621 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.52 161.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -140.26 153.83 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.938 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.7 m-85 -113.86 145.98 40.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.4 ptmt -50.47 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.4 1.062 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -96.4 35.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.464 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 50.7 t0 -125.42 -44.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.938 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -37.73 151.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -91.14 161.81 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -51.91 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -40.04 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -61.79 -46.8 88.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.44 -58.56 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.596 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.2 mtt180 -56.62 -32.25 65.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -66.31 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.2 m -39.36 -37.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.54 -56.9 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.8 70.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.35 -39.36 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -41.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.61 -42.56 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.7 -47.33 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.78 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -170.73 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.22 167.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.412 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -139.84 169.83 17.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.396 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.6 mm -130.29 125.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 p -108.17 -31.15 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.63 156.95 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.95 170.33 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -134.1 87.08 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.01 58.38 5.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.78 166.32 36.56 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.935 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 39' ' ' MET . 18.1 Cg_endo -74.94 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.54 4.13 75.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -140.03 123.98 17.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 0.794 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.94 -171.83 13.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.757 ' CD1' HD12 ' A' ' 33' ' ' ILE . 23.2 p90 -159.56 162.51 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.763 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.23 133.82 45.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.86 -160.59 15.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.99 111.53 23.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.677 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 7.3 mp -115.0 -170.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.702 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -148.19 -175.85 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.702 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -52.5 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -53.75 -41.43 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.866 HD13 ' OE1' ' A' ' 58' ' ' GLN . 1.1 mt -51.4 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 90.1 m -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.1 -72.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.837 ' CE1' HD11 ' A' ' 68' ' ' ILE . 14.0 p90 -92.1 10.98 26.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.866 ' OE1' HD13 ' A' ' 54' ' ' LEU . 3.7 mt-30 -90.5 -46.73 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.44 60.54 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -73.78 -5.97 44.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.725 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 23.3 tt0 -39.19 152.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.59 -33.65 6.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.34 14.91 19.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.506 ' HB3' HD11 ' A' ' 60' ' ' LEU . 8.4 tp -159.72 -44.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.893 HG21 HD12 ' A' ' 68' ' ' ILE . 16.3 mm -106.14 124.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.68 -36.28 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -153.53 134.25 13.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.893 HD12 HG21 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.21 115.84 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.74 63.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.808 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -65.73 132.89 49.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.02 28.19 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.47 ' N ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -167.3 32.04 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 10.0 ttpt -99.95 142.68 31.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.2 m-85 -129.81 165.95 20.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -138.38 104.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.08 165.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.589 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -137.92 171.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.928 ' HB3' HG11 ' A' ' 14' ' ' VAL . 9.1 m-85 -130.76 139.28 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.7 ptmt -50.0 177.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.0 34.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.469 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 29.9 t70 -124.49 -43.57 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.928 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.98 148.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -91.2 169.62 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 -53.11 46.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.9 -38.77 79.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.25 -46.59 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -52.7 -58.61 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' N ' HG22 ' A' ' 19' ' ' ILE . 13.9 mtt-85 -57.08 -32.65 66.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.1 mt-10 -65.12 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 m -38.83 -42.11 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 26' ' ' VAL . 21.5 mtmt -65.48 -55.69 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -39.31 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.89 67.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -73.65 -36.54 47.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.2 mm -58.55 -57.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.14 96.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.79 -66.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -169.46 -68.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.59 168.3 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.667 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -137.67 176.19 8.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.445 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' A' ' 45' ' ' PHE . 30.7 mm -131.32 129.77 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -113.06 -28.7 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -150.58 158.17 43.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -133.84 166.02 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.42 100.07 6.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.89 59.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.93 156.49 44.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.73 -5.02 6.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.82 102.92 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.632 ' HB3' HD11 ' A' ' 19' ' ' ILE . 30.2 mttm -106.39 88.74 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.19 -174.98 14.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 8' ' ' VAL . 9.1 p90 -160.65 161.91 32.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.12 135.65 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.36 -161.72 17.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.173 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 108.64 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.583 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 7.6 mp -110.61 -170.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.74 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -154.3 -172.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.74 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.03 -35.74 2.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -61.38 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.2 m -54.77 -33.99 62.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.924 HD21 ' HG2' ' A' ' 70' ' ' GLU . 3.1 mt -50.82 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -39.12 -30.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.6 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.219 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.714 ' HE1' HD23 ' A' ' 54' ' ' LEU . 3.4 p90 -91.85 -34.25 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.857 ' HG3' HD22 ' A' ' 54' ' ' LEU . 1.2 mm-40 -40.03 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.82 -20.49 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.526 HD23 ' CD1' ' A' ' 64' ' ' LEU . 8.6 tp -90.23 21.57 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -62.34 168.97 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.25 14.02 24.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -121.59 -52.23 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.1 8.46 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.51 HD12 HD12 ' A' ' 68' ' ' ILE . 1.3 mm -129.59 112.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -39.5 24.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -152.99 140.76 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 57' ' ' PHE . 1.4 tt -127.39 128.89 70.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -125.35 79.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.924 ' HG2' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -68.17 136.81 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.87 13.53 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.574 1.171 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.467 ' HB2' HG22 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.79 -168.47 40.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.068 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -98.63 123.04 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.548 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -112.4 160.71 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.31 98.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.668 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -106.48 168.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.52 162.85 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.92 ' HB3' HG11 ' A' ' 14' ' ' VAL . 21.4 m-85 -121.12 139.43 53.34 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.9 ptmt -47.83 175.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.45 36.34 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.482 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 17.7 t70 -123.96 -45.57 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.92 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.93 151.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -90.9 163.87 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.35 -53.49 55.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -38.67 74.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HB3' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -60.96 -46.64 89.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.804 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -53.13 -58.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 2.4 mtp180 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.99 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -41.89 -40.02 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 45' ' ' PHE . 25.8 mtmt -64.07 -51.65 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.203 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -51.92 -38.97 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -73.59 -32.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.745 HD13 ' HA ' ' A' ' 32' ' ' THR . 3.0 mm -64.3 -58.78 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.96 76.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.7 tm-20 -67.85 -71.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.37 -66.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.605 1.191 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.76 171.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.745 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -138.52 176.38 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 11.4 mm -133.05 130.9 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.514 HG23 ' OD1' ' A' ' 35' ' ' ASN . 6.5 t -115.12 -29.2 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' OD1' HG23 ' A' ' 34' ' ' THR . 9.5 m120 -160.29 117.16 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -96.26 166.07 11.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -115.98 87.9 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -88.1 77.19 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.91 155.22 55.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.58 -1.06 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -149.77 120.5 7.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.804 ' HB3' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -123.11 98.64 5.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.14 -170.4 20.03 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.668 ' CE2' HG22 ' A' ' 8' ' ' VAL . 21.7 p90 -156.84 159.58 38.34 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.69 128.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -163.53 -159.46 10.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.435 1.085 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.05 109.71 22.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.766 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 7.1 mp -111.57 -169.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.581 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -148.46 -175.69 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.1 Cg_endo -74.99 -37.91 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -65.46 -55.13 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 2.8 m -56.74 -34.09 67.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.967 HD22 ' HG3' ' A' ' 58' ' ' GLN . 1.4 mt -53.48 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.478 ' CA ' ' HB2' ' A' ' 58' ' ' GLN . 87.3 m -37.57 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.62 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.766 ' CZ ' HD23 ' A' ' 49' ' ' LEU . 10.4 p90 -92.38 -3.07 55.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.967 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.44 -76.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.89 -19.66 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 64' ' ' LEU . 11.1 tp -86.77 12.13 11.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.03 169.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.35 13.46 29.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.42 -53.28 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -138.51 11.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.38 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.53 114.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -81.59 -40.55 22.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.6 m -154.36 147.71 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.527 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -124.74 137.55 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -132.76 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -67.11 135.21 53.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -131.58 16.62 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.73 -161.55 35.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 2.1 mttm -98.17 148.52 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 15.7 m-85 -137.75 161.81 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -139.97 99.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.616 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -101.85 164.81 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -138.1 168.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.898 ' HB3' HG11 ' A' ' 14' ' ' VAL . 8.1 m-85 -134.03 143.64 48.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -54.91 178.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.57 36.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.6 t0 -125.12 -43.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.898 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.67 148.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -91.15 179.14 5.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -44.75 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.32 -38.07 88.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -45.95 91.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.15 -59.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.594 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.82 -31.67 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -65.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -41.44 -35.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -68.47 -56.38 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.55 -39.32 83.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -47.22 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -71.69 -50.74 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.473 ' N ' HG12 ' A' ' 26' ' ' VAL . 2.7 mm -43.98 -42.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.37 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' VAL . 17.0 tp10 -66.11 -71.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -162.28 -70.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.98 169.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.607 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -132.16 -175.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.383 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 45' ' ' PHE . 19.7 mm -134.61 131.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -113.97 -29.06 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.88 160.36 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -132.17 170.32 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.06 104.92 8.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -115.32 58.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 155.52 40.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.65 -12.74 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 113.48 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HB3' HD11 ' A' ' 19' ' ' ILE . 10.2 mtpt -115.79 93.87 4.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.08 -170.16 17.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 33' ' ' ILE . 13.1 p90 -158.16 161.43 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -130.2 151.89 50.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 -147.24 11.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -107.07 138.69 42.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.72 HD22 ' HZ ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -141.45 -169.0 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.716 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.31 -174.94 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.716 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.96 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -64.03 -52.37 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.9 m -55.74 -37.61 68.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.548 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 1.9 mt -52.37 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' LEU . 23.3 m -37.58 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -54.68 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.72 ' HZ ' HD22 ' A' ' 49' ' ' LEU . 11.7 p90 -92.83 7.06 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -90.2 -43.64 10.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.32 -34.94 57.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.61 1.194 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.66 -13.73 44.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -39.0 148.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.14 52.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -113.01 -32.43 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.561 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -136.76 8.66 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 109.243 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -135.45 109.97 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -32.37 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -158.46 153.15 24.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 109.937 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -139.68 139.06 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -134.42 75.43 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HB3' HD11 ' A' ' 54' ' ' LEU . 2.7 pm0 -69.09 134.25 49.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -134.99 28.36 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.64 -165.68 38.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -98.23 114.44 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 m-30 -100.12 165.53 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.57 88.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.504 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -94.13 163.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.22 158.2 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.952 ' HB3' HG11 ' A' ' 14' ' ' VAL . 10.3 m-85 -116.91 136.93 52.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.8 ptmt -48.97 176.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -91.89 34.93 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.467 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 49.3 t0 -125.25 -43.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.952 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -39.43 153.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.76 161.83 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.02 -50.12 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.81 -38.11 86.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -46.5 89.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.66 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.416 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 44.9 mtt180 -57.27 -30.73 64.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.29 -67.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -37.74 -46.73 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 6.9 mtmt -62.14 -55.58 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.89 -39.31 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 tp10 -59.41 -35.29 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 HD21 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -77.1 -38.21 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.871 HD11 HG12 ' A' ' 33' ' ' ILE . 46.3 mm -57.29 -54.87 24.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.13 63.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 3.1 tt0 -50.88 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -159.41 -70.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.74 163.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -139.18 175.77 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 0.8 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.017 HG21 ' OE2' ' A' ' 36' ' ' GLU . 17.8 mm -127.14 134.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.9 p -113.01 -26.17 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.371 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -163.07 127.7 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.017 ' OE2' HG21 ' A' ' 33' ' ' ILE . 28.1 mm-40 -95.94 179.4 5.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -135.35 107.89 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.0 69.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -99.8 160.12 28.14 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.67 3.16 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 -12.13 69.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.9 ttt -125.53 117.88 24.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 0.792 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HG2' HD13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -124.64 113.16 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -154.07 -171.18 20.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 1.7 p90 -159.98 160.58 33.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.49 133.72 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -169.73 -163.86 24.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 130.98 46.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 53' ' ' SER . 2.6 mp -140.38 -170.46 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.711 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -143.32 -174.38 0.41 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.711 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.08 -21.34 15.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.28 -51.85 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.796 ' HB3' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -56.61 -40.8 75.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD23 ' NE2' ' A' ' 58' ' ' GLN . 1.1 mp -55.67 -68.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.8 m -37.61 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.79 -70.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.85 ' CE1' HD11 ' A' ' 68' ' ' ILE . 18.3 p90 -90.0 19.62 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.789 ' NE2' HD23 ' A' ' 54' ' ' LEU . 3.1 mt-30 -91.58 -76.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.15 -21.06 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 64' ' ' LEU . 3.1 tp -88.58 16.56 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -54.72 170.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.76 15.01 25.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -121.77 -48.05 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.637 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.86 10.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.636 HG21 HD12 ' A' ' 68' ' ' ILE . 1.3 mm -132.82 116.88 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.11 -42.76 13.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.1 m -145.01 152.9 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.85 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -139.92 120.39 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -119.2 82.62 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' HD22 ' A' ' 54' ' ' LEU . 8.6 tt0 -71.59 135.7 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -136.4 40.57 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.363 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.501 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -176.37 54.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.8 155.98 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.8 m-85 -135.44 168.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.19 111.65 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.926 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -121.25 154.82 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.926 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -134.35 159.71 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.947 ' HB3' HG11 ' A' ' 14' ' ' VAL . 10.4 m-85 -116.58 144.39 44.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -47.74 174.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.34 35.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 57.6 t0 -124.15 -48.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.947 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -39.52 148.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.35 179.44 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.944 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 tt0 -71.54 -64.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.241 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' GLU . 5.4 t70 -39.04 -64.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 1.5 mttm -43.84 -45.57 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.88 -58.12 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 15.0 mtm180 -57.14 -31.91 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.3 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -38.1 -38.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -66.7 -55.94 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.46 -39.51 83.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.56 -45.06 62.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -44.43 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.81 -44.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.4 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.36 -72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.74 -71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.23 166.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.08 179.77 5.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.7 mm -130.81 130.89 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p -115.87 -30.35 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -152.9 160.01 43.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.065 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -132.42 171.34 13.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.502 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 66.6 m-85 -132.07 93.36 3.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -95.96 78.8 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 157.58 40.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -11.17 21.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.6 7.23 4.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 91.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.39 77.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.907 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -132.97 -171.27 12.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CE2' HG22 ' A' ' 8' ' ' VAL . 19.4 p90 -154.42 161.29 41.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -131.17 150.44 52.15 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.17 -150.77 14.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.49 134.1 42.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.77 -169.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -153.14 -178.02 0.8 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.02 -23.18 14.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -55.33 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 49' ' ' LEU . 1.7 m -55.69 -36.84 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.781 HD23 ' NE2' ' A' ' 58' ' ' GLN . 1.4 mp -56.94 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.5 m -37.74 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.81 -69.91 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.686 ' CE1' HD11 ' A' ' 68' ' ' ILE . 11.1 p90 -89.86 11.34 20.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.781 ' NE2' HD23 ' A' ' 54' ' ' LEU . 10.4 mt-30 -91.33 -58.27 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.93 76.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.7 tp -86.19 -11.25 52.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tt0 -38.44 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.3 -8.14 64.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.48 -33.78 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -142.47 11.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.452 HD11 ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -133.85 118.25 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -44.31 20.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -154.1 145.85 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.686 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -126.23 124.69 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.16 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -125.1 77.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.641 ' HB3' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -68.22 128.49 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -123.85 17.36 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.65 -157.31 27.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -98.12 152.35 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.632 ' HB2' HD12 ' A' ' 49' ' ' LEU . 21.5 m-85 -138.72 159.09 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.17 99.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.746 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.5 m -107.67 168.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.11 174.61 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.885 ' HB3' HG11 ' A' ' 14' ' ' VAL . 6.7 m-85 -134.66 141.76 46.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -49.55 175.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.34 35.61 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.2 t70 -124.19 -45.27 1.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.885 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.42 148.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -91.25 179.67 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -76.0 -49.45 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.28 -45.01 88.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -59.99 -45.72 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -53.72 -57.81 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.58 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.2 mtt180 -58.01 -31.37 66.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.7 mt-10 -66.21 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' GLU . 86.3 m -37.75 -43.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.401 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' HG12 ' A' ' 26' ' ' VAL . 24.8 mtmt -64.3 -55.3 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.33 -39.42 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -37.78 65.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -79.43 -38.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.0 mm -57.05 -40.05 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.48 -41.55 21.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.27 -66.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -167.4 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.576 1.173 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.96 168.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.456 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -136.86 170.68 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.45 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 3.7 mm -126.83 129.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -111.7 -29.45 7.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.64 159.51 44.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.48 170.1 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -131.89 101.56 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -110.43 58.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.46 161.35 28.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 -10.03 31.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 ttm -126.96 106.03 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB3' HD11 ' A' ' 19' ' ' ILE . 11.9 mtmm -114.13 89.59 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.1 -171.91 14.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.746 ' CE2' HG22 ' A' ' 8' ' ' VAL . 24.5 p90 -161.05 160.82 31.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -129.97 147.77 51.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 173.05 -153.67 18.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 137.47 38.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 0.74 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' HB2' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -140.51 -167.71 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.05 -173.74 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.726 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.94 2.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.97 -59.01 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.551 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.1 m -57.18 -34.41 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.911 HD22 ' HG3' ' A' ' 58' ' ' GLN . 1.1 mt -49.98 -80.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.9 m -39.2 -32.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.09 -64.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.699 ' HE1' HD23 ' A' ' 54' ' ' LEU . 2.5 p90 -93.21 -13.05 28.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.911 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.76 -36.39 67.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.9 -47.83 36.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD1' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -85.22 -3.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 0.83 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.419 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 36.1 tt0 -39.36 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 90.44 -18.35 49.73 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.565 1.166 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -33.25 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.95 11.4 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.629 HD12 HD12 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.85 108.55 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.67 -36.51 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -151.72 152.45 32.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.629 HD12 HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -139.51 127.45 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -126.18 76.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.646 ' HG2' HD21 ' A' ' 54' ' ' LEU . 1.6 mt-10 -66.01 134.51 53.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.97 16.74 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.545 ' N ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 -169.85 42.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -99.19 142.75 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 8.6 m-85 -129.65 167.56 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -139.46 91.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.749 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -96.0 163.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.438 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.2 158.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.933 ' HB3' HG11 ' A' ' 14' ' ' VAL . 21.4 m-85 -117.59 142.34 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.9 ptmt -50.87 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.7 35.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' VAL . 4.4 t70 -124.85 -44.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.933 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.48 150.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.65 179.99 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -61.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.58 -32.9 52.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -62.14 -46.36 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.568 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.28 -57.8 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.568 ' N ' HG22 ' A' ' 19' ' ' ILE . 36.9 mtt180 -57.46 -31.52 66.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.34 -65.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.438 HG21 ' HE1' ' A' ' 10' ' ' PHE . 52.6 m -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -63.75 -55.66 21.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.19 -38.89 59.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.24 78.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -71.86 -40.41 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 32' ' ' THR . 8.9 mm -58.38 -40.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.98 -16.83 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -86.25 -66.89 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -172.27 -56.74 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.06 169.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.528 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -138.31 175.92 9.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.343 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.603 HD12 ' CD1' ' A' ' 45' ' ' PHE . 4.8 mm -137.28 127.54 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -112.04 -27.7 8.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -154.04 158.6 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.05 171.08 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -129.28 115.34 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -120.42 60.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mmt -89.26 154.53 49.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 89.87 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 -12.38 9.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.17 120.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.804 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB3' HD11 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -120.57 104.13 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -148.75 -170.71 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.749 ' CE2' HG22 ' A' ' 8' ' ' VAL . 9.6 p90 -163.11 162.41 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -129.06 135.35 48.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -164.65 -163.49 17.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.6 103.99 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 5.6 mp -105.57 -170.27 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.545 HG23 ' N ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -154.46 -177.43 0.73 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.05 -25.53 11.7 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.5 1.789 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -60.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 110.227 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -39.14 56.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -54.97 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.1 m -37.62 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.69 -74.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.804 ' HE1' HD11 ' A' ' 68' ' ' ILE . 34.4 p90 -91.75 27.03 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -86.59 -84.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.12 -21.41 8.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.697 HD23 ' CD1' ' A' ' 64' ' ' LEU . 6.6 tp -73.71 -3.82 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -42.92 166.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.85 51.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -121.35 -54.29 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.697 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -132.67 0.16 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.615 HG12 HD22 ' A' ' 64' ' ' LEU . 1.7 mm -126.7 116.5 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -151.3 151.95 32.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.804 HD11 ' HE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -140.52 115.17 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.27 98.38 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.847 ' HG2' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -83.39 131.04 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.77 23.75 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 -170.12 21.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 3.4 pttt -99.61 145.69 27.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.4 0.706 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.4 m-85 -130.77 165.85 22.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.21 96.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.878 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -111.68 156.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.922 HG23 ' HA3' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -133.08 173.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' HG11 ' A' ' 14' ' ' VAL . 5.2 m-85 -123.67 153.16 41.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.51 ' CD ' ' HB2' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -68.87 -167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -100.93 36.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.51 ' HB2' ' CD ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -126.13 -42.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -37.7 151.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.42 173.83 7.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -60.85 2.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.35 86.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.598 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.76 -58.86 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.598 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -56.14 -32.91 64.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -66.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 m -38.98 -40.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.4 -54.78 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -39.59 86.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -55.77 -34.45 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -80.58 -41.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -54.36 -49.5 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.9 -52.34 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 9.7 tt0 -47.17 -71.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.51 -70.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -42.72 166.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.494 ' O ' HD13 ' A' ' 33' ' ' ILE . 1.1 m -130.81 -175.55 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 32' ' ' THR . 25.6 mm -140.11 127.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 t -113.77 -31.33 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.11 159.53 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.03 166.49 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 73.7 m-85 -124.91 95.0 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -107.14 58.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.14 165.14 15.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 80.83 2.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.26 -3.47 8.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.01 88.05 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -99.16 71.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.922 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -134.47 -169.72 12.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.3 p90 -158.21 165.68 34.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 0.728 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -135.31 139.28 44.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 179.04 -147.16 7.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.94 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.6 mt-10 -100.97 138.47 37.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.357 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.94 HD12 ' O ' ' A' ' 48' ' ' GLU . 4.8 mp -141.58 -166.24 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.621 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -160.85 -177.79 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -54.75 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.567 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.28 -38.81 69.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 50' ' ' THR . 3.1 mp -53.4 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -37.74 -30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -57.95 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 2.6 p90 -91.26 9.52 31.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 54' ' ' LEU . 7.9 mt-30 -92.18 -34.92 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.53 19.12 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.02 -4.37 37.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -39.58 145.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.02 -41.87 2.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.6 1.188 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -101.65 12.67 36.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.769 HD23 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -160.4 -48.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -91.6 117.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -82.33 -40.85 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 141.13 19.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -126.46 111.13 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -109.04 68.92 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.58 121.09 13.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -116.6 12.54 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.51 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.433 ' N ' HG23 ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.19 -165.95 28.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.406 1.066 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 55.1 mttt -99.01 141.79 31.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 4.2 m-85 -129.3 165.96 20.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.41 103.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -109.83 160.81 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -140.56 155.15 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.948 ' HB3' HG11 ' A' ' 14' ' ' VAL . 47.3 m-85 -114.63 149.67 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.1 ptmt -51.57 -177.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.48 36.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -127.49 -45.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.948 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -39.24 148.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -91.43 178.98 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -56.07 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -46.8 -45.56 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -51.97 -58.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.597 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.85 -32.84 66.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.4 mt-10 -65.01 -65.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -38.85 -39.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.36 -56.03 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.47 -39.86 85.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -51.02 -41.54 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -38.59 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.0 mm -55.35 -57.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.55 94.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.59 -70.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.73 -66.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.8 167.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.472 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -135.04 177.78 7.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 0.749 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 45' ' ' PHE . 12.5 mm -134.73 127.5 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -111.75 -28.99 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -151.51 155.42 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.61 167.32 20.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.07 84.72 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -87.66 79.64 8.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.03 171.78 4.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.46 0.19 89.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.587 1.179 . . . . 0.0 110.974 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.13 110.27 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 89.64 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -146.59 -170.84 15.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.0 p90 -156.01 163.34 39.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.499 0.764 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.42 136.27 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -170.25 -160.4 18.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.52 107.7 19.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.585 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 7.5 mp -107.96 -169.66 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.703 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.71 -172.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.703 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.05 -37.19 2.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.11 -61.48 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.2 m -54.46 -34.3 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.895 HD21 ' HG2' ' A' ' 70' ' ' GLU . 3.9 mt -50.1 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 m -39.0 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.92 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.74 ' HE1' HD23 ' A' ' 54' ' ' LEU . 1.2 p90 -91.77 -25.22 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.651 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.72 -41.39 61.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.86 -47.52 7.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.038 HD23 ' CD2' ' A' ' 64' ' ' LEU . 21.7 tp -65.25 -12.34 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.46 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -43.5 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.226 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.428 ' N ' HE21 ' A' ' 61' ' ' GLN . . . 88.81 -37.31 3.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.61 23.63 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.038 ' CD2' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -160.3 -61.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.635 HG21 HD12 ' A' ' 68' ' ' ILE . 1.5 mt -94.05 130.44 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -84.74 -44.48 13.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -149.68 135.52 18.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -114.49 130.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -125.86 72.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.895 ' HG2' HD21 ' A' ' 54' ' ' LEU . 3.4 mt-10 -63.89 130.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.16 29.8 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -174.87 23.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 8.7 mtmm -98.87 134.3 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.848 ' HB2' HD12 ' A' ' 49' ' ' LEU . 5.1 m-85 -120.66 167.99 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.635 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.3 90.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 9' ' ' ILE . 1.6 m -95.34 165.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -140.13 163.66 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.919 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.1 m-85 -126.33 149.42 49.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 14' ' ' VAL . 13.8 ptmt -60.1 176.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -92.25 36.36 0.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.2 m-20 -128.93 -41.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.919 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -35.61 147.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.04 160.65 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.21 -51.74 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -46.33 90.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -55.1 -59.01 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.2 mtt180 -55.98 -31.04 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.68 -67.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -42.57 -40.76 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.92 -50.61 61.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.8 -41.04 94.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.03 -43.37 66.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG22 ' OG ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -71.17 -40.0 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.4 mm -53.2 -55.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.6 88.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.97 -75.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -157.35 -72.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.449 1.093 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.89 164.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.529 ' HA ' HD13 ' A' ' 27' ' ' ILE . 1.6 m -134.19 -173.6 3.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' H ' HG22 ' A' ' 32' ' ' THR . 5.3 mm -138.86 127.68 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -112.92 -31.8 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -145.34 160.11 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.15 169.75 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.86 90.28 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -97.69 72.44 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 157.45 34.09 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 95.82 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.98 -13.2 22.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 ttt -127.81 119.83 26.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -119.69 86.71 2.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.49 -173.38 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.7 p90 -168.84 163.64 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.635 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -133.06 146.79 52.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 175.07 -145.16 7.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.19 140.01 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 6' ' ' PHE . 12.3 mt -141.91 -169.37 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.542 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -161.2 -176.39 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.07 -31.04 6.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.568 1.826 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -55.5 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.528 ' OG ' HG22 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -54.65 -39.71 68.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.523 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 2.2 mt -51.43 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -38.36 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -55.06 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 68' ' ' ILE . 9.9 p90 -91.93 5.5 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.9 mm100 -90.79 122.02 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.082 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.81 -41.22 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.415 1.072 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.839 HD21 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -77.45 -0.71 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -39.55 157.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.16 -19.71 33.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.449 ' HB3' HD12 ' A' ' 60' ' ' LEU . 1.8 t0 -117.86 -6.0 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.839 HD23 HD21 ' A' ' 60' ' ' LEU . 2.2 tp -157.53 -54.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.488 HG21 HD13 ' A' ' 68' ' ' ILE . 46.4 mm -89.76 117.1 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -85.1 -31.1 23.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -165.88 135.02 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -114.7 142.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -136.58 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.603 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.82 137.42 57.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -136.23 15.63 3.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 50' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.1 -178.32 0.59 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.52 127.63 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 3' ' ' ALA . 12.0 m-30 -102.87 163.96 11.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.83 HG22 ' HB2' ' A' ' 46' ' ' ALA . 5.6 pt -140.76 94.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.943 ' C ' HD13 ' A' ' 9' ' ' ILE . 10.3 m -99.15 157.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.943 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.71 167.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.887 ' HB3' HG11 ' A' ' 14' ' ' VAL . 8.2 m-85 -129.64 140.48 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' PHE . 14.4 ptmt -50.61 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -95.5 35.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.887 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.17 152.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.4 ' O ' HG22 ' A' ' 14' ' ' VAL . 7.0 p -90.6 173.88 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.62 -44.04 44.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -40.34 94.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 6.6 mtpt -60.37 -46.22 90.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.624 1.202 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.93 -59.0 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.593 ' N ' HG22 ' A' ' 19' ' ' ILE . 34.8 mtt180 -56.41 -31.39 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -66.69 -67.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 m -39.96 -37.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -67.0 -56.48 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.61 -39.51 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.57 -40.44 65.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -77.64 -47.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.437 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 1.9 mm -48.04 -40.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.96 -46.58 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.4 -70.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.55 -70.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.8 166.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -131.82 -179.67 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 45' ' ' PHE . 25.4 mm -130.06 133.13 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.667 HG22 ' HA2' ' A' ' 47' ' ' GLY . 15.0 t -114.47 -26.34 7.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.364 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.563 ' ND2' HG23 ' A' ' 34' ' ' THR . 74.3 m-20 -159.54 163.81 34.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.49 167.15 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.44 90.52 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.19 54.85 1.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.409 ' HB2' ' CB ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -88.47 165.29 28.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.69 20.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.6 3.5 5.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -135.56 92.07 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.937 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -100.69 70.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.749 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -137.85 -169.06 11.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.699 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 9.7 p90 -153.91 165.35 36.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 7' ' ' ILE . . . -132.48 160.56 36.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.667 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 158.15 -154.64 25.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.97 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.23 -168.1 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.746 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -158.41 -175.2 0.49 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.99 -24.67 12.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.581 1.832 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -61.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.491 ' CB ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.735 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -53.76 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.4 m -37.28 -30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.88 -71.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.854 ' CE1' HD11 ' A' ' 68' ' ' ILE . 23.8 p90 -92.78 14.28 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -90.3 -46.65 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -29.95 62.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -90.22 -21.12 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -38.69 158.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 99.69 -23.27 36.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.92 -28.18 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.707 HD22 HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -134.05 1.04 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.707 HG12 HD22 ' A' ' 64' ' ' LEU . 1.3 mm -131.67 112.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -80.62 -43.48 20.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 2.8 m -137.77 149.72 46.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.854 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -141.0 109.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 99.45 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' A' ' 54' ' ' LEU . 4.4 mp0 -104.89 120.32 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -112.81 66.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.29 -164.57 28.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -98.88 140.91 32.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 6.9 m-85 -132.57 153.9 50.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.958 HG22 ' CB ' ' A' ' 46' ' ' ALA . 11.8 pt -140.38 103.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.912 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.47 164.04 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.912 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -132.79 173.32 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.94 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.8 m-85 -122.0 156.78 32.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.8 ptmt -50.71 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -98.56 37.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 13.6 t0 -131.57 -44.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.94 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -38.77 150.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 p -91.74 177.61 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.78 -40.3 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.98 -61.17 2.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -51.3 -45.42 62.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.4 -58.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.379 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -55.99 -32.73 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.06 -66.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.391 1.057 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -43.63 -37.14 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -65.72 -51.01 62.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.48 -40.88 98.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.5 mt-10 -54.07 -41.12 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -76.18 -39.88 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.519 HD11 ' CG1' ' A' ' 33' ' ' ILE . 1.9 mm -49.73 -55.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -72.76 -57.97 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -37.83 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -154.96 -73.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.23 170.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -139.99 -175.79 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' CG1' HD11 ' A' ' 27' ' ' ILE . 4.8 mm -137.93 125.21 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -115.4 -32.08 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -152.9 108.51 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.09 165.61 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 25.4 m-85 -118.62 81.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -83.39 80.25 9.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.78 160.84 54.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.41 4.75 73.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 95.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HB2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.13 82.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.869 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -140.18 -170.69 12.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 4.4 p90 -148.21 160.77 42.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.958 ' CB ' HG22 ' A' ' 7' ' ' ILE . . . -138.38 122.97 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.03 -133.18 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -116.25 141.05 48.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 1.1 mt -141.72 -167.77 2.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.754 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -154.35 -174.19 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.438 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.714 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.04 -34.29 3.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.45 -58.49 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.8 OUTLIER -54.71 -35.3 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 50' ' ' THR . 1.8 mp -51.86 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -38.14 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -54.45 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.667 ' HB2' HD11 ' A' ' 65' ' ' ILE . 1.7 p90 -88.34 -2.33 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.7 mm-40 -81.32 120.3 24.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.91 -28.6 9.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -75.35 -8.66 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' HG2' HG22 ' A' ' 65' ' ' ILE . 7.2 mt-30 -39.98 147.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.65 -23.32 16.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -4.36 10.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 0.715 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 65' ' ' ILE . 1.2 tp -159.94 -65.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 57' ' ' PHE . 3.1 mt -79.6 126.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -92.37 -40.2 11.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -152.47 135.46 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.63 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -122.0 125.17 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.61 72.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 1.9 pp20? -69.03 131.54 45.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 27.96 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.481 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.79 -172.4 14.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 40.6 mttt -104.25 145.44 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.3 m-85 -129.15 164.38 23.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -139.61 101.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG22 ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.06 155.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -132.0 170.23 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.707 ' HB3' HG11 ' A' ' 14' ' ' VAL . 5.1 m-85 -130.19 141.29 50.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -52.21 174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.0 36.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.8 t70 -124.79 -43.09 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.707 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -39.83 153.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -90.82 163.31 14.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -65.26 -46.33 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.85 -40.81 94.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -60.79 -45.97 92.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.38 -58.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.597 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.6 mtt180 -56.38 -30.82 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.03 -67.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -41.19 -35.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -67.86 -54.97 14.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.41 -42.7 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -70.57 -40.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -55.03 -55.31 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.34 -72.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -164.35 -70.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.66 164.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.93 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.58 128.76 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.504 HG23 ' ND2' ' A' ' 35' ' ' ASN . 14.3 t -113.56 -31.39 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' ND2' HG23 ' A' ' 34' ' ' THR . 30.5 m-20 -146.67 111.21 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 166.86 11.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -120.67 86.6 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -93.07 75.81 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.87 170.77 5.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.28 -1.79 88.56 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.483 ' HE1' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.94 133.62 44.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.584 0.814 . . . . 0.0 110.991 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HB3' HD11 ' A' ' 19' ' ' ILE . 20.0 mtpt -142.69 88.63 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -155.24 -168.65 18.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 8' ' ' VAL . 32.3 p90 -159.91 159.59 32.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -130.56 136.05 48.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -174.24 -154.04 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.971 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' LEU . 10.0 mm-40 -100.87 121.45 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.591 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 6.6 mp -122.47 -169.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.8 -176.02 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.91 -27.93 9.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -61.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -50.34 -39.96 47.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.822 HD11 ' HG2' ' A' ' 70' ' ' GLU . 1.8 mt -51.8 -71.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.459 ' CA ' ' HB2' ' A' ' 58' ' ' GLN . 79.6 m -36.93 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -58.22 -71.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.697 ' CE1' HD23 ' A' ' 54' ' ' LEU . 20.0 p90 -93.08 17.26 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.607 ' NE2' HD13 ' A' ' 54' ' ' LEU . 2.8 mt-30 -90.2 -45.64 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.26 -35.48 29.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.72 -20.0 43.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 5.0 tt0 -39.08 147.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 106.99 -21.85 30.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -108.67 -27.81 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.631 HD22 HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -136.07 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.631 HG12 HD22 ' A' ' 64' ' ' LEU . 1.2 mm -135.3 118.29 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -81.47 -47.04 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -144.69 154.84 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.602 HD12 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -134.96 116.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -113.28 73.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.822 ' HG2' HD11 ' A' ' 54' ' ' LEU . 2.6 mt-10 -67.26 132.26 47.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.11 28.62 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.544 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 p -47.41 172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.636 ' H ' HG23 ' A' ' 50' ' ' THR . . . -89.58 8.35 31.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.18 -168.13 20.19 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 11.3 ttpt -99.4 146.94 25.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.3 m-85 -132.49 168.33 18.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.502 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -140.47 108.13 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG22 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -116.56 159.72 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -137.44 152.74 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.958 ' HB3' HG11 ' A' ' 14' ' ' VAL . 59.3 m-85 -113.65 139.96 48.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -49.02 177.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.54 34.18 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 38.1 t0 -124.88 -41.91 2.08 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.958 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.17 153.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.86 168.08 11.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.4 -56.19 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.311 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.83 -33.17 68.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -61.64 -46.4 89.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.78 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -54.64 -58.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.8 mtp180 -56.25 -30.55 62.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.11 -67.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 m -42.62 -46.59 5.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HD2' ' CD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -62.76 -47.43 83.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.62 -39.4 91.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.22 -34.31 66.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -78.94 -37.43 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -59.55 -50.37 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.58 -46.88 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -53.3 -70.28 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -163.98 -68.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.56 165.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.1 -177.78 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 110.386 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.588 HD12 ' CD2' ' A' ' 45' ' ' PHE . 5.7 mm -132.45 131.96 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' HA2' ' A' ' 47' ' ' GLY . 7.0 t -114.02 -29.32 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.372 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 46' ' ' ALA . 5.0 t-20 -151.77 161.96 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.26 167.89 20.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.38 99.64 5.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -106.2 70.1 0.83 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.87 161.5 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 104.49 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 100.18 -11.33 60.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.9 ttm -123.07 117.14 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.78 ' HB3' HD11 ' A' ' 19' ' ' ILE . 15.9 mtmm -121.15 92.72 3.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.46 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.23 -172.95 13.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.714 ' CE1' HG22 ' A' ' 8' ' ' VAL . 29.5 p90 -164.98 161.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.58 142.84 49.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.622 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 179.79 -149.04 8.34 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.909 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.2 mt-10 -102.08 130.72 48.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 110.245 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.909 HD12 ' O ' ' A' ' 48' ' ' GLU . 7.7 mp -135.09 -169.2 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.694 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.27 -175.52 0.52 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.694 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.03 -29.11 8.53 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.576 1.829 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -61.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -37.48 46.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.609 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.6 mp -53.05 -72.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 15.6 m -37.12 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.446 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.04 -71.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.24 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.713 ' CE1' HD11 ' A' ' 68' ' ' ILE . 6.3 p90 -90.71 16.75 8.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 2.5 mt-30 -91.5 -38.88 12.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.271 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.62 -42.57 7.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.777 ' CD2' HD22 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -70.43 -7.14 40.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.31 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.7 OUTLIER -43.22 166.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.8 -41.93 3.13 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.83 23.73 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 60' ' ' LEU . 3.4 tp -160.13 -65.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.736 HG21 HD12 ' A' ' 68' ' ' ILE . 1.5 mt -93.9 126.99 46.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.28 -40.43 19.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.2 m -147.34 138.67 23.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.003 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.736 HD12 HG21 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -125.09 132.38 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 109.248 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -137.32 102.66 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.263 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.462 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -87.22 134.14 33.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.326 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -127.48 15.66 7.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -93.28 -54.01 1.78 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.91 65.65 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.7 t -104.99 -62.52 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.836 HG22 HG23 ' A' ' 76' ' ' THR . 5.4 m 62.44 150.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.347 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.836 HG23 HG22 ' A' ' 75' ' ' THR . 64.3 p 44.8 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p 72.44 135.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.743 . . . . 0.0 109.991 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.49 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -115.86 12.44 15.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.13 -165.57 13.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 8.4 ptmm? -98.91 155.7 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 18.9 m-85 -138.08 166.32 24.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.35 93.81 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.368 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.736 HG22 ' CE1' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -103.0 160.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.458 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -139.4 150.58 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.929 ' HB3' HG11 ' A' ' 14' ' ' VAL . 48.3 m-85 -108.99 145.02 36.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.2 ptmt -51.34 -178.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -96.61 35.83 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -124.72 -45.1 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.929 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -38.64 150.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 p -91.07 165.05 13.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.48 -47.09 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.2 -38.94 93.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.31 -45.93 91.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.67 -58.24 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 84.4 mtt-85 -57.36 -30.55 64.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.62 -66.98 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 m -38.76 -40.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -63.73 -55.6 22.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.99 -42.35 72.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -52.19 -38.55 58.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.46 -42.13 29.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.554 HD11 ' CG1' ' A' ' 33' ' ' ILE . 6.2 mm -50.27 -52.17 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.16 -58.21 3.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.2 tp10 -38.62 -68.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 110.348 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -165.84 -67.18 0.03 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -41.34 164.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.425 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -130.31 179.48 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 110.433 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.613 HD12 ' CD2' ' A' ' 45' ' ' PHE . 19.8 mm -136.04 128.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.444 HG22 ' HA2' ' A' ' 47' ' ' GLY . 7.1 t -113.31 -29.66 7.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -152.38 162.56 41.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -137.24 167.67 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.461 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 79.4 m-85 -128.25 91.03 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -91.87 78.44 5.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.454 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.1 OUTLIER -107.13 172.43 3.83 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.56 -4.28 85.7 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.435 1.084 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 7.8 ttm -125.39 126.44 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HB3' HD11 ' A' ' 19' ' ' ILE . 39.0 mttp -134.95 94.58 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.36 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -145.36 -171.05 14.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.736 ' CE1' HG22 ' A' ' 8' ' ' VAL . 30.0 p90 -158.68 160.26 36.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.779 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -130.33 140.3 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' HA2' HG22 ' A' ' 34' ' ' THR . . . -179.55 -149.35 8.36 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -99.96 135.47 41.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.738 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.678 HD22 ' HZ ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -141.94 -169.0 2.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.69 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.46 -175.59 0.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.69 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -28.52 9.16 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.43 1.753 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -70.84 -57.17 4.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.428 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.5 m -55.06 -37.03 66.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 110.039 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.575 ' HA ' ' CE1' ' A' ' 57' ' ' PHE . 1.7 mp -54.17 -74.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 10.9 m -37.79 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.38 -69.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.806 ' HE1' HD11 ' A' ' 68' ' ' ILE . 8.2 p90 -91.29 5.44 49.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.571 ' HG2' HD13 ' A' ' 68' ' ' ILE . 4.8 mt-30 -91.24 -37.32 13.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.397 1.061 . . . . 0.0 110.29 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.22 -29.58 64.16 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.738 HD21 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -95.51 -0.41 52.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' LEU . 1.3 tt0 -39.91 160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.2 -43.39 3.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.09 14.66 31.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.754 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.738 ' CD2' HD21 ' A' ' 60' ' ' LEU . 17.7 tp -157.91 -70.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.701 HG21 HD12 ' A' ' 68' ' ' ILE . 20.4 mm -80.52 126.68 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.91 -40.91 14.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.0 m -152.24 135.8 16.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 110.041 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.806 HD11 ' HE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -115.11 133.03 62.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -126.23 71.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.411 1.07 . . . . 0.0 110.269 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.573 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 15.7 tt0 -64.16 123.79 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -120.51 8.95 10.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -75.81 151.89 41.68 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.14 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 3' ' ' ALA . 4.2 mp -127.54 136.48 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.209 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.1 t -97.93 72.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 m 44.44 87.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.45 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 96.2 m -133.73 127.16 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.478 ' CB ' ' OE1' ' A' ' 48' ' ' GLU . 2.0 p 72.18 164.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 0.805 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.74 -42.58 7.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.52 -160.35 32.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 27.4 mtmt -98.11 119.71 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 0.815 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -109.93 160.35 16.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.64 ' CG2' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.38 109.16 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.733 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -110.89 166.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.58 162.47 26.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.868 ' HB3' HG11 ' A' ' 14' ' ' VAL . 15.3 m-85 -124.01 137.93 54.53 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.3 ptmt -49.46 177.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.243 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -93.49 34.71 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.468 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 20.2 t70 -123.94 -43.59 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.254 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.868 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.94 152.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -90.56 163.41 14.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.44 -52.91 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -36.9 72.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -61.44 -46.39 90.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.589 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.51 -58.53 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.363 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.589 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -56.72 -31.46 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.405 1.066 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.81 -66.69 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -38.66 -36.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.08 -58.2 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -38.55 81.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.83 -38.77 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 110.306 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -75.69 -38.56 38.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -57.73 -50.86 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.07 -40.31 75.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.35 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.32 -69.76 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -165.98 -67.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.32 163.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.89 164.17 25.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.583 HD12 ' CD1' ' A' ' 45' ' ' PHE . 24.9 mm -120.56 124.83 73.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.9 p -111.21 -31.16 7.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.393 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -151.09 157.82 43.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.63 1.206 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -133.68 166.93 21.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.305 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -125.87 94.26 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -96.46 77.55 2.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.0 mmt -110.11 153.78 43.08 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.152 . . . . 0.0 111.03 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -24.55 12.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.041 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.92 -9.5 32.29 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.021 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -143.13 143.16 31.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 0.81 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HB3' HD11 ' A' ' 19' ' ' ILE . 24.8 mmtt -139.08 92.33 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.59 -171.09 15.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.589 1.181 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.733 ' CE2' HG22 ' A' ' 8' ' ' VAL . 23.6 p90 -156.29 163.7 39.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.64 ' HB2' ' CG2' ' A' ' 7' ' ' ILE . . . -131.98 149.17 52.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 174.84 -157.53 24.76 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.798 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -99.24 123.86 43.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.805 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 8.0 mp -129.07 -170.46 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.33 -174.47 0.41 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.726 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -66.33 -58.53 5.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.451 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 3.1 m -55.52 -32.33 62.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.066 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.801 HD23 ' CE1' ' A' ' 57' ' ' PHE . 5.9 mt -54.03 -76.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.2 m -39.94 -31.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -67.81 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.805 ' HZ ' HD23 ' A' ' 49' ' ' LEU . 10.9 p90 -91.3 -40.83 11.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -46.82 -69.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.58 -21.37 4.63 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.421 1.076 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD23 ' CD1' ' A' ' 64' ' ' LEU . 14.6 tp -90.82 22.27 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -59.34 167.8 1.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 110.307 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 13.07 43.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.442 1.089 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.47 -61.84 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.661 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -130.89 5.74 4.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.694 HD12 HD12 ' A' ' 68' ' ' ILE . 0.7 OUTLIER -124.08 114.06 39.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.25 -37.89 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 63.0 m -153.91 148.29 26.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.75 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -133.77 132.89 56.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -130.96 81.04 1.97 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.45 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.8 OUTLIER -75.37 133.77 41.12 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 0.0 110.318 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.96 22.82 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.561 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -91.18 -104.49 1.34 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.546 1.154 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 73' ' ' ILE . 1.0 OUTLIER -90.65 103.52 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 0.794 . . . . 0.0 109.313 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.6 p -115.86 105.53 18.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.563 ' O ' HG22 ' A' ' 75' ' ' THR . 3.5 m -159.06 65.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.9 m -118.79 -59.08 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -62.54 -139.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.537 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -91.19 42.96 1.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.12 -170.31 30.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 22.0 mttt -104.55 155.27 18.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 7.6 m-85 -137.12 165.83 25.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mt -140.58 96.44 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -105.99 163.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -137.55 176.58 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.95 ' HB3' HG11 ' A' ' 14' ' ' VAL . 64.5 m-85 -136.33 143.24 44.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -50.2 178.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.37 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.92 34.59 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 16.9 t70 -124.8 -43.04 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.384 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.95 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.31 152.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.257 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.73 175.11 7.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.25 -53.09 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -58.21 -36.86 73.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.571 1.169 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -46.23 91.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.584 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.71 -58.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.584 ' N ' HG22 ' A' ' 19' ' ' ILE . 23.8 mtt180 -56.79 -30.65 63.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.78 -66.6 0.54 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.9 m -39.2 -41.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -62.92 -54.29 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.44 -39.65 76.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -41.25 65.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -42.96 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -52.19 -41.47 33.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.09 -40.08 28.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.64 -66.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.78 -65.54 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.82 166.35 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.72 -179.35 5.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 110.397 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mm -136.01 129.77 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.3 p -110.93 -31.04 7.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.598 1.187 . . . . 0.0 110.337 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -150.98 161.78 42.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.327 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -134.24 167.38 20.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.289 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.82 94.96 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -99.17 76.1 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 17.9 mtt -112.76 155.45 43.99 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.54 15.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.78 -15.06 15.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 ttm -136.58 132.2 34.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.47 89.85 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.469 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -150.75 -167.67 14.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 7.4 p90 -153.1 167.15 30.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.09 139.21 39.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.363 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.88 -146.08 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.88 136.45 40.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 0.772 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -142.08 -166.57 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.456 ' CB ' ' CD ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -154.23 -179.85 1.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.46 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.5 Cg_endo -74.97 -29.54 8.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.432 1.754 . . . . 0.0 111.035 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -71.58 -55.06 8.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.492 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -52.46 -43.03 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.044 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.931 HD21 ' HB2' ' A' ' 70' ' ' GLU . 2.0 mp -52.25 -70.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.6 m -37.74 -30.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -58.53 -69.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.338 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.793 ' CE1' HD11 ' A' ' 68' ' ' ILE . 14.8 p90 -90.87 10.16 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.916 ' HG2' HD13 ' A' ' 68' ' ' ILE . 9.4 mt-30 -91.17 -52.48 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -60.13 -40.35 97.06 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.02 -8.51 59.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 6.5 tt0 -39.86 148.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.27 -18.01 54.75 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.056 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -126.9 4.21 6.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 4.3 tp -152.04 -48.3 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.181 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.608 HG21 HD12 ' A' ' 68' ' ' ILE . 20.3 mm -99.0 123.65 51.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -85.57 -35.89 20.77 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.5 m -153.16 136.38 15.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.916 HD13 ' HG2' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -119.83 114.5 44.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.172 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -112.14 67.52 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.931 ' HB2' HD21 ' A' ' 54' ' ' LEU . 12.4 tt0 -61.66 126.85 28.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -129.2 19.01 5.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.394 1.059 . . . . 0.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.537 ' CA ' ' O ' ' A' ' 3' ' ' ALA . . . -60.04 -65.57 3.3 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.429 1.081 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.721 HG23 ' O ' ' A' ' 73' ' ' ILE . 2.2 tt -80.29 84.03 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 0.73 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.705 ' O ' HG13 ' A' ' 74' ' ' VAL . 7.8 p -117.65 78.98 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.341 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.4 m 63.4 143.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 m -64.78 -65.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.429 1.08 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.248 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 p -72.45 -172.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 0.744 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.428 ' H ' HG23 ' A' ' 50' ' ' THR . . . -93.52 1.59 56.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.48 -162.03 23.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 13.2 mttm -98.31 153.67 18.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.525 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 20.5 m-85 -139.66 161.71 36.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.3 mt -140.45 101.66 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -110.94 162.97 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.3 OUTLIER -137.35 164.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.918 ' HB3' HG11 ' A' ' 14' ' ' VAL . 56.7 m-85 -124.16 146.68 48.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.0 ptmt -52.01 -175.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -99.37 35.75 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' VAL . 3.2 m-20 -125.36 -44.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.918 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.4 146.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.346 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.3 p -91.34 166.74 12.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -47.05 81.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -59.84 -42.38 93.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -46.83 88.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.585 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.36 -58.7 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.585 ' N ' HG22 ' A' ' 19' ' ' ILE . 22.5 mtt180 -56.77 -30.59 63.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.92 -67.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 m -41.01 -40.41 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.49 -53.8 42.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -39.43 85.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -55.71 -36.04 66.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.128 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -79.19 -38.43 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 32' ' ' THR . 1.7 mm -57.3 -51.32 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.5 -49.85 30.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.505 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 26.8 tt0 -49.06 -68.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.94 -69.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 26' ' ' VAL . . . -44.48 169.77 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.508 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -140.01 174.6 10.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.76 . . . . 0.0 110.388 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.729 HD12 ' CD1' ' A' ' 45' ' ' PHE . 39.9 mm -125.7 129.3 72.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.6 p -112.56 -30.68 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -150.12 161.05 43.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -134.86 167.79 20.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.85 96.07 4.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -92.76 79.56 4.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.45 ' CB ' ' HB3' ' A' ' 42' ' ' MET . 0.0 OUTLIER -99.75 170.7 6.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.043 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.29 0.91 75.83 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.45 ' HB3' ' CB ' ' A' ' 39' ' ' MET . 0.4 OUTLIER -130.49 136.31 48.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 110.973 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -139.24 97.84 3.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -140.43 -171.86 12.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.729 ' CD1' HD12 ' A' ' 33' ' ' ILE . 24.4 p90 -158.09 163.64 37.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.99 145.22 49.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 178.72 -149.4 8.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -105.87 129.65 53.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 0.781 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -135.47 -168.88 2.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.734 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -153.75 -173.65 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.439 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.734 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.99 -30.96 6.63 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.54 1.81 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -68.0 -61.19 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 2.2 m -55.88 -34.15 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.1 mt -52.46 -81.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -38.8 -29.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.51 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.838 ' CE1' HD11 ' A' ' 68' ' ' ILE . 9.8 p90 -92.72 -8.27 44.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.669 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -74.88 -40.09 61.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.17 -53.27 43.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD21 ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.76 -2.19 28.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 0.786 . . . . 0.0 109.358 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 17.9 tt0 -39.77 146.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG2' ' A' ' 61' ' ' GLN . . . 99.57 -27.77 18.62 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -113.63 2.95 15.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.728 ' CD2' HD21 ' A' ' 60' ' ' LEU . 4.7 tp -151.97 -46.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.85 HG21 HD12 ' A' ' 68' ' ' ILE . 25.9 mm -98.89 119.1 46.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.1 -38.93 21.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -148.56 136.78 21.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.85 HD12 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -121.12 120.19 61.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -121.28 70.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.64 126.75 28.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -124.5 19.36 8.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -65.11 -74.68 0.46 Allowed Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.535 1.147 . . . . 0.0 110.914 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 14.1 tt -98.62 121.91 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.3 p -108.75 -44.88 6.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 79.2 m 59.85 151.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.359 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.7 m 68.32 -75.18 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 110.367 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.08 . . . . 0.0 110.339 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -171.45 136.56 1.01 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 0.747 . . . . 0.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 50' ' ' THR . . . -75.34 -48.88 20.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.23 -161.27 33.37 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 77.4 mttt -97.78 113.06 24.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 0.0 109.381 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.646 ' HE2' HD11 ' A' ' 54' ' ' LEU . 5.9 m-85 -102.57 164.33 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 111.007 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.46 98.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.668 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -101.78 164.85 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.642 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -139.71 174.34 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.934 ' HB3' HG11 ' A' ' 14' ' ' VAL . 17.5 m-85 -134.14 142.69 47.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -54.71 -177.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -95.86 36.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -124.54 -45.29 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.934 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.78 149.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.01 -178.03 5.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.33 -57.45 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.15 -33.8 65.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HB3' HG23 ' A' ' 14' ' ' VAL . 11.7 mptt -62.24 -46.02 90.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.1 -57.62 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.8 mtp180 -58.29 -32.84 68.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.4 mt-10 -64.18 -64.02 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 HG21 ' HE1' ' A' ' 10' ' ' PHE . 24.1 m -38.72 -45.46 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -62.73 -53.41 54.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -39.47 74.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -43.86 64.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.98 -43.72 45.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.0 mm -50.29 -43.0 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -78.95 -24.02 44.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -76.09 -71.42 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.35 -70.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -44.79 168.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.453 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -138.17 -179.68 5.93 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 0.756 . . . . 0.0 110.395 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.8 HD12 ' CD1' ' A' ' 45' ' ' PHE . 14.8 mm -123.89 133.25 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.462 HG22 ' HA2' ' A' ' 47' ' ' GLY . 6.4 t -114.13 -26.36 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 46' ' ' ALA . 1.1 m-80 -155.23 163.69 39.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.582 1.177 . . . . 0.0 109.202 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -134.26 169.68 16.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.376 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.633 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 78.5 m-85 -128.04 90.92 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -90.29 79.73 6.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.08 164.63 15.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -65.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 1.17 76.24 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.497 1.123 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -142.13 133.87 27.0 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.498 0.764 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 94.93 2.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.47 -168.45 13.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.433 1.083 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.8 ' CD1' HD12 ' A' ' 33' ' ' ILE . 17.6 p90 -155.77 161.31 40.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -127.96 153.35 46.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 169.14 -158.74 31.44 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.66 ' O ' HD12 ' A' ' 49' ' ' LEU . 1.4 tt0 -99.23 136.99 38.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.349 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 48' ' ' GLU . 2.8 mp -141.18 -168.0 2.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.731 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.45 -174.39 0.4 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.456 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.731 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.0 -33.62 4.44 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.818 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.17 -52.04 51.95 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -58.26 -36.64 73.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.682 HD23 ' CE1' ' A' ' 57' ' ' PHE . 7.4 mt -52.37 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 89.7 m -39.48 -32.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -49.77 -68.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 68' ' ' ILE . 12.5 p90 -91.0 -41.24 11.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.57 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -53.48 -38.1 63.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -54.47 27.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -79.0 1.79 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 57' ' ' PHE . 45.9 tt0 -39.28 158.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 87.84 -0.74 84.73 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.449 1.093 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 60' ' ' LEU . 9.2 t70 -117.15 -44.77 2.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -131.66 2.25 4.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.62 HD12 HD12 ' A' ' 68' ' ' ILE . 2.0 mm -120.08 115.22 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.464 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -84.6 -36.02 22.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.6 m -157.34 151.35 24.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -140.13 133.77 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -128.43 81.64 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.27 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 6' ' ' PHE . 6.3 tt0 -70.95 132.93 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -133.35 12.43 4.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.46 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . -105.34 144.99 15.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.571 1.17 . . . . 0.0 111.006 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.511 ' CG2' HG22 ' A' ' 75' ' ' THR . 3.3 mt -136.25 143.44 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.2 p -112.42 58.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.511 HG22 ' CG2' ' A' ' 73' ' ' ILE . 6.0 t -174.83 151.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 110.456 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.8 t -167.72 138.04 2.79 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -154.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.85 -24.67 59.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.88 -169.59 34.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 12.8 mttt -97.35 115.55 27.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.594 ' CD2' ' HA ' ' A' ' 70' ' ' GLU . 5.5 m-85 -103.81 158.93 16.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.027 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.763 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -139.94 85.96 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.621 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.52 161.88 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.474 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.2 OUTLIER -140.26 153.83 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 109.347 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.938 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.7 m-85 -113.86 145.98 40.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.4 ptmt -50.47 -179.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.4 1.062 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -96.4 35.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 50.7 t0 -125.42 -44.59 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.938 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -37.73 151.47 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 p -91.14 161.81 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -51.91 65.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -40.04 77.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.243 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -61.79 -46.8 88.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.596 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.44 -58.56 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.596 ' N ' HG22 ' A' ' 19' ' ' ILE . 3.2 mtt180 -56.62 -32.25 65.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.273 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -66.31 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.2 m -39.36 -37.35 0.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 110.334 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.54 -56.9 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.95 -38.8 70.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.35 -39.36 69.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -41.43 26.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.567 1.167 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mm -53.61 -42.56 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.7 -47.33 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -51.78 -64.99 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -170.73 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.49 1.118 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.22 167.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.412 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -139.84 169.83 17.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.396 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.6 mm -130.29 125.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.6 p -108.17 -31.15 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -144.63 156.95 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.95 170.33 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -134.1 87.08 2.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -86.01 58.38 5.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.78 166.32 36.56 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 110.935 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 39' ' ' MET . 18.1 Cg_endo -74.94 -58.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.46 1.768 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.54 4.13 75.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -140.03 123.98 17.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 0.794 . . . . 0.0 111.002 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -128.87 92.06 3.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.474 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.94 -171.83 13.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.757 ' CD1' HD12 ' A' ' 33' ' ' ILE . 23.2 p90 -159.56 162.51 35.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.763 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.23 133.82 45.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.86 -160.59 15.73 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -98.99 111.53 23.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.311 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.677 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 7.3 mp -115.0 -170.56 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.702 HG22 ' CD ' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -148.19 -175.85 0.51 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.702 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.01 -33.66 4.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -52.5 37.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -53.75 -41.43 67.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.866 HD13 ' OE1' ' A' ' 58' ' ' GLN . 1.1 mt -51.4 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.426 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 90.1 m -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.1 -72.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.837 ' CE1' HD11 ' A' ' 68' ' ' ILE . 14.0 p90 -92.1 10.98 26.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.866 ' OE1' HD13 ' A' ' 54' ' ' LEU . 3.7 mt-30 -90.5 -46.73 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.44 60.54 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -73.78 -5.97 44.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 0.725 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 23.3 tt0 -39.19 152.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.59 -33.65 6.05 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -113.34 14.91 19.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.506 ' HB3' HD11 ' A' ' 60' ' ' LEU . 8.4 tp -159.72 -44.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.893 HG21 HD12 ' A' ' 68' ' ' ILE . 16.3 mm -106.14 124.82 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.68 -36.28 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -153.53 134.25 13.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.893 HD12 HG21 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -116.21 115.84 50.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.74 63.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.35 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.808 ' HB3' HD11 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -65.73 132.89 49.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.558 1.161 . . . . 0.0 110.297 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.02 28.19 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.6 -118.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.3 mt -87.35 94.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 74' ' ' VAL . 69.9 t -148.51 62.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.5 m -130.21 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 85.4 m -71.75 85.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.404 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -40.69 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 0.768 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.537 ' H ' HG23 ' A' ' 50' ' ' THR . . . -93.86 -15.27 25.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -167.3 32.04 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 10.0 ttpt -99.95 142.68 31.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.2 m-85 -129.81 165.95 20.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.473 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -138.38 104.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.08 165.42 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.589 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -137.92 171.25 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.928 ' HB3' HG11 ' A' ' 14' ' ' VAL . 9.1 m-85 -130.76 139.28 50.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.7 ptmt -50.0 177.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -93.0 34.68 1.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.469 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 29.9 t70 -124.49 -43.57 2.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.928 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.98 148.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 p -91.2 169.62 10.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.026 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.61 -53.11 46.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -58.9 -38.77 79.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.25 -46.59 89.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.632 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -52.7 -58.61 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' N ' HG22 ' A' ' 19' ' ' ILE . 13.9 mtt-85 -57.08 -32.65 66.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.1 mt-10 -65.12 -65.44 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.1 m -38.83 -42.11 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' HG12 ' A' ' 26' ' ' VAL . 21.5 mtmt -65.48 -55.69 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.97 -39.31 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.89 67.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -73.65 -36.54 47.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.2 mm -58.55 -57.53 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.14 96.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.79 -66.33 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -169.46 -68.06 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.59 168.3 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.667 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -137.67 176.19 8.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 0.768 . . . . 0.0 110.445 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.685 HD12 ' CD1' ' A' ' 45' ' ' PHE . 30.7 mm -131.32 129.77 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.9 t -113.06 -28.7 7.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -150.58 158.17 43.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -133.84 166.02 23.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -123.42 100.07 6.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -105.89 59.53 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.93 156.49 44.33 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 78.11 2.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.73 -5.02 6.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.2 ttt -129.82 102.92 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.632 ' HB3' HD11 ' A' ' 19' ' ' ILE . 30.2 mttm -106.39 88.74 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -141.19 -174.98 14.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.454 1.096 . . . . 0.0 111.08 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE2' HG22 ' A' ' 8' ' ' VAL . 9.1 p90 -160.65 161.91 32.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.12 135.65 47.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -167.36 -161.72 17.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.173 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 108.64 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.583 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 7.6 mp -110.61 -170.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.74 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -154.3 -172.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.74 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.03 -35.74 2.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.56 -61.38 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.513 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 1.2 m -54.77 -33.99 62.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.924 HD21 ' HG2' ' A' ' 70' ' ' GLU . 3.1 mt -50.82 -78.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -39.12 -30.73 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 110.454 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -47.6 -65.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 1.073 . . . . 0.0 109.219 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.714 ' HE1' HD23 ' A' ' 54' ' ' LEU . 3.4 p90 -91.85 -34.25 14.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.857 ' HG3' HD22 ' A' ' 54' ' ' LEU . 1.2 mm-40 -40.03 -78.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.82 -20.49 4.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.526 HD23 ' CD1' ' A' ' 64' ' ' LEU . 8.6 tp -90.23 21.57 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -62.34 168.97 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 0.0 110.277 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.25 14.02 24.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -121.59 -52.23 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.1 8.46 2.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.51 HD12 HD12 ' A' ' 68' ' ' ILE . 1.3 mm -129.59 112.85 25.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.376 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.6 -39.5 24.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -152.99 140.76 20.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 57' ' ' PHE . 1.4 tt -127.39 128.89 70.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -125.35 79.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.372 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.924 ' HG2' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -68.17 136.81 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.314 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -132.87 13.53 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.521 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -73.84 150.35 42.72 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.574 1.171 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 73' ' ' ILE . 4.8 tp -128.67 108.54 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.3 t -89.14 66.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.0 m -141.4 -73.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.45 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.7 m -41.39 136.45 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -62.01 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 0.791 . . . . 0.0 110.059 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.467 ' HB2' HG22 ' A' ' 50' ' ' THR . . . -88.85 -36.17 16.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.79 -168.47 40.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.408 1.068 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.7 OUTLIER -98.63 123.04 42.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 0.746 . . . . 0.0 109.349 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.548 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 5.4 m-85 -112.4 160.71 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.686 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.31 98.99 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.668 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -106.48 168.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.52 162.85 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.92 ' HB3' HG11 ' A' ' 14' ' ' VAL . 21.4 m-85 -121.12 139.43 53.34 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.482 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.9 ptmt -47.83 175.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.45 36.34 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.482 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 17.7 t70 -123.96 -45.57 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.92 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.93 151.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.0 p -90.9 163.87 14.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.951 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -61.35 -53.49 55.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.37 -38.67 74.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HB3' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -60.96 -46.64 89.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.804 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -53.13 -58.13 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 2.4 mtp180 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.99 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.2 m -41.89 -40.02 2.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 45' ' ' PHE . 25.8 mtmt -64.07 -51.65 63.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.626 1.203 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -51.92 -38.97 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -73.59 -32.71 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.745 HD13 ' HA ' ' A' ' 32' ' ' THR . 3.0 mm -64.3 -58.78 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.96 76.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 4.7 tm-20 -67.85 -71.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.37 -66.87 0.02 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.605 1.191 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.76 171.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.745 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -138.52 176.38 8.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 110.363 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 45' ' ' PHE . 11.4 mm -133.05 130.9 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.514 HG23 ' OD1' ' A' ' 35' ' ' ASN . 6.5 t -115.12 -29.2 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' OD1' HG23 ' A' ' 34' ' ' THR . 9.5 m120 -160.29 117.16 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -96.26 166.07 11.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -115.98 87.9 2.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -88.1 77.19 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.91 155.22 55.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -46.34 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.58 -1.06 83.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -149.77 120.5 7.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.488 0.758 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.804 ' HB3' HD11 ' A' ' 19' ' ' ILE . 1.0 OUTLIER -123.11 98.64 5.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -154.14 -170.4 20.03 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.668 ' CE2' HG22 ' A' ' 8' ' ' VAL . 21.7 p90 -156.84 159.58 38.34 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.686 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.69 128.35 38.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -163.53 -159.46 10.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.435 1.085 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.05 109.71 22.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.766 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 7.1 mp -111.57 -169.93 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.581 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -148.46 -175.69 0.49 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.1 Cg_endo -74.99 -37.91 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -65.46 -55.13 19.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 2.8 m -56.74 -34.09 67.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.967 HD22 ' HG3' ' A' ' 58' ' ' GLN . 1.4 mt -53.48 -78.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.478 ' CA ' ' HB2' ' A' ' 58' ' ' GLN . 87.3 m -37.57 -30.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -52.62 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.766 ' CZ ' HD23 ' A' ' 49' ' ' LEU . 10.4 p90 -92.38 -3.07 55.86 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.967 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.44 -76.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.332 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.89 -19.66 5.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 64' ' ' LEU . 11.1 tp -86.77 12.13 11.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 0.734 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.03 169.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.246 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.35 13.46 29.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.42 -53.28 1.7 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 0.746 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -138.51 11.42 2.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.38 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.53 114.8 26.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' CB ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -81.59 -40.55 22.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.6 m -154.36 147.71 24.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.527 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -124.74 137.55 57.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -132.76 64.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -67.11 135.21 53.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -131.58 16.62 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -72.39 151.97 47.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.412 ' HA ' HD13 ' A' ' 73' ' ' ILE . 29.1 mm -122.64 136.77 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 75' ' ' THR . 76.1 t -115.63 -84.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER 67.15 150.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.9 m -41.14 115.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.29 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 49' ' ' LEU . 5.0 m -115.64 -148.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.67 ' O ' HG22 ' A' ' 73' ' ' ILE . . . -80.0 -30.52 39.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.73 -161.55 35.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 2.1 mttm -98.17 148.52 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 0.789 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 15.7 m-85 -137.75 161.81 35.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -139.97 99.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.616 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -101.85 164.81 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -138.1 168.71 19.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.898 ' HB3' HG11 ' A' ' 14' ' ' VAL . 8.1 m-85 -134.03 143.64 48.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -54.91 178.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.57 36.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.6 t0 -125.12 -43.63 1.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.898 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -38.67 148.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.7 p -91.15 179.14 5.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -44.75 28.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.32 -38.07 88.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.24 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.84 -45.95 91.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.594 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -54.15 -59.09 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.594 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -56.82 -31.67 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -65.64 0.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -41.44 -35.59 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -68.47 -56.38 8.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.55 -39.32 83.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.83 -47.22 67.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -71.69 -50.74 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.473 ' N ' HG12 ' A' ' 26' ' ' VAL . 2.7 mm -43.98 -42.1 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.55 -32.37 36.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' VAL . 17.0 tp10 -66.11 -71.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -162.28 -70.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 110.934 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.98 169.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.074 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.607 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.9 OUTLIER -132.16 -175.88 3.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 110.383 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 45' ' ' PHE . 19.7 mm -134.61 131.09 53.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.7 p -113.97 -29.06 7.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.88 160.36 41.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -132.17 170.32 15.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -127.06 104.92 8.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 111.055 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -115.32 58.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.92 155.52 40.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 76.57 3.36 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.65 -12.74 3.19 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.3 ttt -130.74 113.48 14.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HB3' HD11 ' A' ' 19' ' ' ILE . 10.2 mtpt -115.79 93.87 4.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.08 -170.16 17.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 33' ' ' ILE . 13.1 p90 -158.16 161.43 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -130.2 151.89 50.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.94 -147.24 11.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -107.07 138.69 42.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.72 HD22 ' HZ ' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -141.45 -169.0 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.716 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -149.31 -174.94 0.43 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.716 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -74.96 -37.87 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.528 1.804 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -64.03 -52.37 59.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 1.9 m -55.74 -37.61 68.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.548 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 1.9 mt -52.37 -74.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' LEU . 23.3 m -37.58 -30.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.468 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -54.68 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.398 1.061 . . . . 0.0 109.319 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.72 ' HZ ' HD22 ' A' ' 49' ' ' LEU . 11.7 p90 -92.83 7.06 45.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -90.2 -43.64 10.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.32 -34.94 57.16 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.61 1.194 . . . . 0.0 111.067 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.66 -13.73 44.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -39.0 148.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.08 -14.14 52.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -113.01 -32.43 6.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.561 HD22 ' O ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -136.76 8.66 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 109.243 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.667 HD12 HD12 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -135.45 109.97 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.44 -32.37 37.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -158.46 153.15 24.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.595 1.184 . . . . 0.0 109.937 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.681 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -139.68 139.06 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -134.42 75.43 1.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.514 ' HB3' HD11 ' A' ' 54' ' ' LEU . 2.7 pm0 -69.09 134.25 49.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -134.99 28.36 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 149.83 51.64 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.509 1.13 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 3' ' ' ALA . 0.7 OUTLIER -119.95 149.02 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.336 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -94.75 -65.81 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 38.88 86.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.468 1.105 . . . . 0.0 110.452 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 76' ' ' THR . 3.4 m -93.26 71.83 4.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.357 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -124.35 -172.03 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.763 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.36 -53.85 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.224 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.64 -165.68 38.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -98.23 114.44 26.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 6.5 m-30 -100.12 165.53 11.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.57 88.97 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.504 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -94.13 163.22 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.22 158.2 25.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.952 ' HB3' HG11 ' A' ' 14' ' ' VAL . 10.3 m-85 -116.91 136.93 52.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.413 1.071 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.8 ptmt -48.97 176.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -91.89 34.93 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.467 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 49.3 t0 -125.25 -43.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.952 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -39.43 153.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.76 161.83 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -64.02 -50.12 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.81 -38.11 86.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.301 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -46.5 89.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.66 -58.11 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.416 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 44.9 mtt180 -57.27 -30.73 64.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.29 -67.25 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -37.74 -46.73 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' CD ' ' OE2' ' A' ' 36' ' ' GLU . 6.9 mtmt -62.14 -55.58 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -49.89 -39.31 39.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 1.2 tp10 -59.41 -35.29 73.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 HD21 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -77.1 -38.21 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.871 HD11 HG12 ' A' ' 33' ' ' ILE . 46.3 mm -57.29 -54.87 24.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.1 -48.13 63.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 3.1 tt0 -50.88 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.261 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -159.41 -70.33 0.02 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.593 1.183 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.74 163.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.703 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -139.18 175.77 9.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 0.8 . . . . 0.0 110.417 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.017 HG21 ' OE2' ' A' ' 36' ' ' GLU . 17.8 mm -127.14 134.08 66.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.9 p -113.01 -26.17 8.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.371 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -163.07 127.7 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.017 ' OE2' HG21 ' A' ' 33' ' ' ILE . 28.1 mm-40 -95.94 179.4 5.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -135.35 107.89 7.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -112.0 69.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -99.8 160.12 28.14 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 110.67 3.16 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.87 -12.13 69.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.9 ttt -125.53 117.88 24.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 0.792 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HG2' HD13 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -124.64 113.16 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.451 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -154.07 -171.18 20.81 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 1.7 p90 -159.98 160.58 33.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.489 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -131.49 133.72 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -169.73 -163.86 24.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.85 130.98 46.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 110.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.796 HD23 ' HB3' ' A' ' 53' ' ' SER . 2.6 mp -140.38 -170.46 2.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.711 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -143.32 -174.38 0.41 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.348 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.711 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.08 -21.34 15.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.553 1.818 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -76.28 -51.85 11.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.373 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.796 ' HB3' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -56.61 -40.8 75.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD23 ' NE2' ' A' ' 58' ' ' GLN . 1.1 mp -55.67 -68.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.468 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.8 m -37.61 -30.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -61.79 -70.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.85 ' CE1' HD11 ' A' ' 68' ' ' ILE . 18.3 p90 -90.0 19.62 4.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.789 ' NE2' HD23 ' A' ' 54' ' ' LEU . 3.1 mt-30 -91.58 -76.9 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.15 -21.06 7.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.417 1.073 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.637 HD23 ' CD1' ' A' ' 64' ' ' LEU . 3.1 tp -88.58 16.56 6.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -54.72 170.01 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.76 15.01 25.09 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.432 1.082 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -121.77 -48.05 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.637 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.86 10.78 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.636 HG21 HD12 ' A' ' 68' ' ' ILE . 1.3 mm -132.82 116.88 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER -86.11 -42.76 13.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.1 m -145.01 152.9 40.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.981 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.85 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -139.92 120.39 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -119.2 82.62 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' OE2' HD22 ' A' ' 54' ' ' LEU . 8.6 tt0 -71.59 135.7 47.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -136.4 40.57 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.363 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.48 152.57 17.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 110.961 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.722 HD13 ' N ' ' A' ' 74' ' ' VAL . 0.2 OUTLIER -121.35 127.96 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.78 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.722 ' N ' HD13 ' A' ' 73' ' ' ILE . 85.6 t -124.52 -65.11 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.8 m -66.06 96.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 77' ' ' GLN . 4.0 t -125.76 -49.56 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.4 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' N ' HG23 ' A' ' 76' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -53.06 -173.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 0.778 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.501 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -115.78 52.7 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -176.37 54.62 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 111.056 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' C ' ' CD1' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -100.8 155.98 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.8 m-85 -135.44 168.55 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 mt -140.19 111.65 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.926 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -121.25 154.82 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.926 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -134.35 159.71 41.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.947 ' HB3' HG11 ' A' ' 14' ' ' VAL . 10.4 m-85 -116.58 144.39 44.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 111.07 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.7 ptmt -47.74 174.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -91.34 35.95 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.25 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 57.6 t0 -124.15 -48.23 1.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.947 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -39.52 148.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -91.35 179.44 5.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.944 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 tt0 -71.54 -64.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.241 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 16' ' ' GLU . 5.4 t70 -39.04 -64.42 0.45 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 1.5 mttm -43.84 -45.57 7.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.582 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.88 -58.12 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' N ' HG22 ' A' ' 19' ' ' ILE . 15.0 mtm180 -57.14 -31.91 65.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.3 -65.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' GLU . 1.8 m -38.1 -38.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -66.7 -55.94 12.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.46 -39.51 83.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.56 -45.06 62.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.96 -44.43 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.81 -44.65 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.9 -36.4 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.36 -72.77 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.74 -71.59 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.578 1.174 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.23 166.47 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.08 179.77 5.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.41 HD12 ' CD1' ' A' ' 45' ' ' PHE . 5.7 mm -130.81 130.89 64.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.9 p -115.87 -30.35 6.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -152.9 160.01 43.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.405 1.065 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -132.42 171.34 13.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.502 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 66.6 m-85 -132.07 93.36 3.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -95.96 78.8 3.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.02 157.58 40.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -11.17 21.33 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.6 7.23 4.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.39 91.61 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 111.011 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -101.39 77.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.359 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.907 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -132.97 -171.27 12.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CE2' HG22 ' A' ' 8' ' ' VAL . 19.4 p90 -154.42 161.29 41.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -131.17 150.44 52.15 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 1.166 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.17 -150.77 14.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.49 134.1 42.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.59 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.77 -169.6 2.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -153.14 -178.02 0.8 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.02 -23.18 14.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.434 1.755 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.52 -55.33 5.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.452 ' CB ' HD23 ' A' ' 49' ' ' LEU . 1.7 m -55.69 -36.84 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.781 HD23 ' NE2' ' A' ' 58' ' ' GLN . 1.4 mp -56.94 -70.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 85.5 m -37.74 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.458 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -59.81 -69.91 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.686 ' CE1' HD11 ' A' ' 68' ' ' ILE . 11.1 p90 -89.86 11.34 20.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.781 ' NE2' HD23 ' A' ' 54' ' ' LEU . 10.4 mt-30 -91.33 -58.27 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -59.98 -32.93 76.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.442 1.089 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.7 tp -86.19 -11.25 52.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 0.788 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 58' ' ' GLN . 3.8 tt0 -38.44 146.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.3 -8.14 64.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.15 . . . . 0.0 111.065 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.48 -33.78 6.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -142.47 11.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.452 HD11 ' HB2' ' A' ' 57' ' ' PHE . 0.7 OUTLIER -133.85 118.25 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -44.31 20.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.7 m -154.1 145.85 23.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.686 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -126.23 124.69 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.557 1.16 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -125.1 77.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.641 ' HB3' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -68.22 128.49 36.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -123.85 17.36 9.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -59.98 142.27 47.5 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.419 ' HA ' HD13 ' A' ' 73' ' ' ILE . 24.8 mm -150.3 123.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.3 t -108.38 -86.5 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.1 m 40.92 59.19 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.46 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -161.68 -68.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.433 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.292 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 m 70.46 171.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.005 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' O ' HG22 ' A' ' 73' ' ' ILE . . . -95.93 -24.42 16.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.399 1.062 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.65 -157.31 27.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -98.12 152.35 19.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.632 ' HB2' HD12 ' A' ' 49' ' ' LEU . 21.5 m-85 -138.72 159.09 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.17 99.07 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.746 HG22 ' CE2' ' A' ' 45' ' ' PHE . 1.5 m -107.67 168.5 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -139.11 174.61 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.885 ' HB3' HG11 ' A' ' 14' ' ' VAL . 6.7 m-85 -134.66 141.76 46.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -49.55 175.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.573 1.17 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -92.34 35.61 1.01 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.2 t70 -124.19 -45.27 1.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.885 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.42 148.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.2 p -91.25 179.67 5.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 110.039 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -76.0 -49.45 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.28 -45.01 88.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -59.99 -45.72 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -53.72 -57.81 4.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.393 1.058 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.58 ' N ' HG22 ' A' ' 19' ' ' ILE . 1.2 mtt180 -58.01 -31.37 66.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 22' ' ' THR . 1.7 mt-10 -66.21 -65.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' GLU . 86.3 m -37.75 -43.59 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 110.401 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' O ' HG12 ' A' ' 26' ' ' VAL . 24.8 mtmt -64.3 -55.3 22.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.33 -39.42 75.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -37.78 65.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -79.43 -38.95 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.0 mm -57.05 -40.05 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.48 -41.55 21.59 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -58.27 -66.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -167.4 -65.62 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.576 1.173 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -43.96 168.93 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.456 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -136.86 170.68 15.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.45 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.605 ' CD1' ' CE1' ' A' ' 45' ' ' PHE . 3.7 mm -126.83 129.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 t -111.7 -29.45 7.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -150.64 159.51 44.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -134.48 170.1 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -131.89 101.56 5.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -110.43 58.24 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.46 161.35 28.15 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.04 -10.03 31.66 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.3 ttm -126.96 106.03 9.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB3' HD11 ' A' ' 19' ' ' ILE . 11.9 mtmm -114.13 89.59 3.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.1 -171.91 14.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.746 ' CE2' HG22 ' A' ' 8' ' ' VAL . 24.5 p90 -161.05 160.82 31.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -129.97 147.77 51.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.088 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 173.05 -153.67 18.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.95 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 137.47 38.38 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.458 0.74 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' HB2' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -140.51 -167.71 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.726 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.2 OUTLIER -157.05 -173.74 0.39 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.726 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.06 -35.94 2.81 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -62.97 -59.01 5.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.551 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.1 m -57.18 -34.41 68.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.593 1.183 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.911 HD22 ' HG3' ' A' ' 58' ' ' GLN . 1.1 mt -49.98 -80.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.9 m -39.2 -32.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.09 -64.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.699 ' HE1' HD23 ' A' ' 54' ' ' LEU . 2.5 p90 -93.21 -13.05 28.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.911 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -72.76 -36.39 67.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.315 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -70.9 -47.83 36.95 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.559 1.162 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD1' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -85.22 -3.19 58.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.61 0.83 . . . . 0.0 109.251 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' CG ' ' N ' ' A' ' 62' ' ' GLY . 36.1 tt0 -39.36 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 61' ' ' GLN . . . 90.44 -18.35 49.73 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.565 1.166 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.93 -33.25 10.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.757 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.95 11.4 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.629 HD12 HD12 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -131.85 108.55 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.362 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.67 -36.51 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -151.72 152.45 32.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.629 HD12 HD12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -139.51 127.45 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -126.18 76.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.646 ' HG2' HD21 ' A' ' 54' ' ' LEU . 1.6 mt-10 -66.01 134.51 53.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.97 16.74 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -83.35 144.55 22.52 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.1 tt -83.32 127.45 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.1 t -120.01 97.39 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 m 68.91 118.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.1 m -38.56 -75.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' O ' HG21 ' A' ' 50' ' ' THR . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.8 OUTLIER -38.32 135.38 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.545 ' N ' HG23 ' A' ' 50' ' ' THR . . . -111.99 -30.31 7.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.26 -169.85 42.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -99.19 142.75 30.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 0.732 . . . . 0.0 109.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 8.6 m-85 -129.65 167.56 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -139.46 91.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.749 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -96.0 163.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.438 ' CD1' ' HA3' ' A' ' 44' ' ' GLY . 0.4 OUTLIER -140.2 158.86 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.933 ' HB3' HG11 ' A' ' 14' ' ' VAL . 21.4 m-85 -117.59 142.34 47.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' PHE . 13.9 ptmt -50.87 -179.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -95.7 35.56 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 14' ' ' VAL . 4.4 t70 -124.85 -44.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.933 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -39.48 150.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.65 179.99 5.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.52 -61.93 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.58 -32.9 52.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -62.14 -46.36 89.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.568 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.28 -57.8 5.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.568 ' N ' HG22 ' A' ' 19' ' ' ILE . 36.9 mtt180 -57.46 -31.52 66.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.34 -65.95 0.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.438 HG21 ' HE1' ' A' ' 10' ' ' PHE . 52.6 m -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -63.75 -55.66 21.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.591 1.182 . . . . 0.0 109.298 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -52.19 -38.89 59.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -43.24 78.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -71.86 -40.41 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 32' ' ' THR . 8.9 mm -58.38 -40.37 77.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.98 -16.83 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -86.25 -66.89 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -172.27 -56.74 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.59 1.181 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -45.06 169.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.528 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -138.31 175.92 9.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.726 . . . . 0.0 110.343 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.603 HD12 ' CD1' ' A' ' 45' ' ' PHE . 4.8 mm -137.28 127.54 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.8 t -112.04 -27.7 8.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.162 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -154.04 158.6 40.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.05 171.08 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -129.28 115.34 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -120.42 60.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.6 mmt -89.26 154.53 49.13 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 89.87 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.8 -12.38 9.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -133.17 120.19 20.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 0.804 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.493 ' HB3' HD11 ' A' ' 19' ' ' ILE . 0.7 OUTLIER -120.57 104.13 9.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -148.75 -170.71 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.123 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.749 ' CE2' HG22 ' A' ' 8' ' ' VAL . 9.6 p90 -163.11 162.41 25.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.474 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -129.06 135.35 48.81 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -164.65 -163.49 17.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.6 103.99 15.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 5.6 mp -105.57 -170.27 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.572 HG21 ' O ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -154.46 -177.43 0.73 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -75.05 -25.53 11.7 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.5 1.789 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.93 -60.39 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.073 . . . . 0.0 110.227 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.36 -39.14 56.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.981 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.847 HD11 ' HG2' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -54.97 -68.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.428 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.1 m -37.62 -30.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.431 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.69 -74.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.804 ' HE1' HD11 ' A' ' 68' ' ' ILE . 34.4 p90 -91.75 27.03 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.469 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -86.59 -84.69 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.354 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.12 -21.41 8.02 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.697 HD23 ' CD1' ' A' ' 64' ' ' LEU . 6.6 tp -73.71 -3.82 30.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 0.797 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -42.92 166.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.095 . . . . 0.0 110.344 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.85 51.82 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.129 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -121.35 -54.29 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 109.241 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.697 ' CD1' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -132.67 0.16 3.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.615 HG12 HD22 ' A' ' 64' ' ' LEU . 1.7 mm -126.7 116.5 45.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.0 -33.99 18.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.5 m -151.3 151.95 32.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.804 HD11 ' HE1' ' A' ' 57' ' ' PHE . 0.5 OUTLIER -140.52 115.17 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -111.27 98.38 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.847 ' HG2' HD11 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -83.39 131.04 35.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.77 23.75 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.45 18.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 36.6 mt -139.77 147.09 24.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.4 t -99.21 84.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.0 p -83.72 -62.6 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 110.416 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.8 m 39.13 81.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.441 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 p 61.93 134.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 109.969 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 73' ' ' ILE . . . -125.82 3.58 7.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.1 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.38 -170.12 21.04 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 3.4 pttt -99.61 145.69 27.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.4 0.706 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 4.4 m-85 -130.77 165.85 22.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mt -138.21 96.05 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.878 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -111.68 156.63 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.922 HG23 ' HA3' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -133.08 173.01 15.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.834 ' HB3' HG11 ' A' ' 14' ' ' VAL . 5.2 m-85 -123.67 153.16 41.19 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.51 ' CD ' ' HB2' ' A' ' 13' ' ' ASP . 0.1 OUTLIER -68.87 -167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.367 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 39.5 p-10 -100.93 36.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' HB2' ' CD ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -126.13 -42.22 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.834 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.9 OUTLIER -37.7 151.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.42 173.83 7.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -60.85 2.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -46.35 86.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.598 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.76 -58.86 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.598 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.8 OUTLIER -56.14 -32.91 64.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.37 -66.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.355 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 m -38.98 -40.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.569 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.1 OUTLIER -64.4 -54.78 27.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -39.59 86.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -55.77 -34.45 65.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -80.58 -41.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.4 mm -54.36 -49.5 63.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.9 -52.34 13.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 9.7 tt0 -47.17 -71.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -161.51 -70.68 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -42.72 166.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.494 ' O ' HD13 ' A' ' 33' ' ' ILE . 1.1 m -130.81 -175.55 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 0.74 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 32' ' ' THR . 25.6 mm -140.11 127.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.7 t -113.77 -31.33 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 0.0 110.427 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -150.11 159.53 44.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.03 166.49 22.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.244 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' HE2' ' HB2' ' A' ' 46' ' ' ALA . 73.7 m-85 -124.91 95.0 4.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -107.14 58.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.14 165.14 15.88 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 80.83 2.37 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.26 -3.47 8.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.3 ttt -127.01 88.05 2.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 0.75 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -99.16 71.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.922 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -134.47 -169.72 12.06 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.3 p90 -158.21 165.68 34.28 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 0.728 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB2' ' HE2' ' A' ' 37' ' ' TYR . . . -135.31 139.28 44.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 179.04 -147.16 7.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.94 ' O ' HD12 ' A' ' 49' ' ' LEU . 2.6 mt-10 -100.97 138.47 37.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.357 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.94 HD12 ' O ' ' A' ' 48' ' ' GLU . 4.8 mp -141.58 -166.24 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.621 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -160.85 -177.79 0.78 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.3 Cg_endo -74.97 -29.59 8.12 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.66 -54.75 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.567 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.28 -38.81 69.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.621 HD13 ' O ' ' A' ' 50' ' ' THR . 3.1 mp -53.4 -73.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -37.74 -30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -57.95 -70.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 54' ' ' LEU . 2.6 p90 -91.26 9.52 31.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 54' ' ' LEU . 7.9 mt-30 -92.18 -34.92 14.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.83 -53.53 19.12 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.769 HD21 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.02 -4.37 37.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 0.738 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -39.58 145.93 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 106.02 -41.87 2.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.6 1.188 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -101.65 12.67 36.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.769 HD23 HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -160.4 -48.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -91.6 117.67 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -82.33 -40.85 20.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.2 m -153.76 141.13 19.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.607 HD12 ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -126.46 111.13 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -109.04 68.92 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.461 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.58 121.09 13.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.269 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -116.6 12.54 15.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.51 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -80.12 150.66 32.38 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 3' ' ' ALA . 24.3 mt -96.84 108.01 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 0.753 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 74' ' ' VAL . 72.6 t -90.6 59.77 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' THR . 2.6 m -129.7 -62.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' THR . 4.9 t 37.34 56.36 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 p -68.55 164.09 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' N ' HG23 ' A' ' 50' ' ' THR . . . -102.84 -14.03 16.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.19 -165.95 28.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.406 1.066 . . . . 0.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 55.1 mttt -99.01 141.79 31.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 4.2 m-85 -129.3 165.96 20.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.41 103.08 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -109.83 160.81 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -140.56 155.15 22.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 109.327 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.948 ' HB3' HG11 ' A' ' 14' ' ' VAL . 47.3 m-85 -114.63 149.67 36.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 11.1 ptmt -51.57 -177.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -98.48 36.54 1.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -127.49 -45.47 1.5 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.948 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -39.24 148.88 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 p -91.43 178.98 5.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 -56.07 5.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.12 -64.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -46.8 -45.56 20.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -51.97 -58.78 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.597 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.2 OUTLIER -56.85 -32.84 66.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.239 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 2.4 mt-10 -65.01 -65.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 m -38.85 -39.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -65.36 -56.03 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.47 -39.86 85.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -51.02 -41.54 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.317 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -38.59 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 32' ' ' THR . 2.0 mm -55.35 -57.98 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -43.55 94.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -56.59 -70.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.73 -66.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -43.8 167.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.472 ' HA ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -135.04 177.78 7.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 0.749 . . . . 0.0 110.426 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.402 HD12 ' CD1' ' A' ' 45' ' ' PHE . 12.5 mm -134.73 127.5 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -111.75 -28.99 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -151.51 155.42 38.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.61 167.32 20.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -126.07 84.72 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -87.66 79.64 8.19 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.03 171.78 4.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 111.073 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.57 1.826 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.46 0.19 89.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.587 1.179 . . . . 0.0 110.974 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.2 ttt -135.13 110.27 8.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 89.64 3.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.405 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -146.59 -170.84 15.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 3.0 p90 -156.01 163.34 39.82 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.499 0.764 . . . . 0.0 111.011 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.42 136.27 45.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.279 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -170.25 -160.4 18.52 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.52 107.7 19.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.585 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 7.5 mp -107.96 -169.66 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.703 HG22 ' HD3' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.71 -172.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.703 ' HD3' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.05 -37.19 2.11 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.529 1.805 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -64.11 -61.48 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.601 ' O ' ' CE2' ' A' ' 57' ' ' PHE . 1.2 m -54.46 -34.3 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.895 HD21 ' HG2' ' A' ' 70' ' ' GLU . 3.9 mt -50.1 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.8 m -39.0 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.454 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -45.92 -64.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.74 ' HE1' HD23 ' A' ' 54' ' ' LEU . 1.2 p90 -91.77 -25.22 19.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 111.057 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.651 ' HG3' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -51.72 -41.39 61.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.227 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.86 -47.52 7.69 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.038 HD23 ' CD2' ' A' ' 64' ' ' LEU . 21.7 tp -65.25 -12.34 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.46 ' CG ' ' HB ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -43.5 164.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.226 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.428 ' N ' HE21 ' A' ' 61' ' ' GLN . . . 88.81 -37.31 3.32 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.61 23.63 10.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.331 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.038 ' CD2' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -160.3 -61.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.635 HG21 HD12 ' A' ' 68' ' ' ILE . 1.5 mt -94.05 130.44 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -84.74 -44.48 13.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 m -149.68 135.52 18.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.562 1.164 . . . . 0.0 110.012 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -114.49 130.19 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -125.86 72.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.327 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.895 ' HG2' HD21 ' A' ' 54' ' ' LEU . 3.4 mt-10 -63.89 130.03 42.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.16 29.8 4.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.42 -73.29 1.18 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.463 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -79.94 115.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.87 125.05 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 53.4 m -51.61 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -141.84 124.01 15.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' SER . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' GLY . 5.3 m 49.39 -178.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 0.707 . . . . 0.0 109.947 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.34 -5.66 42.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.74 -174.87 23.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 8.7 mtmm -98.87 134.3 41.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.753 . . . . 0.0 109.378 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.848 ' HB2' HD12 ' A' ' 49' ' ' LEU . 5.1 m-85 -120.66 167.99 11.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.635 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -140.3 90.82 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 9' ' ' ILE . 1.6 m -95.34 165.53 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -140.13 163.66 23.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.919 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.1 m-85 -126.33 149.42 49.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' O ' HG12 ' A' ' 14' ' ' VAL . 13.8 ptmt -60.1 176.72 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -92.25 36.36 0.99 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 14' ' ' VAL . 5.2 m-20 -128.93 -41.34 1.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.919 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -35.61 147.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.04 160.65 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.21 -51.74 67.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -37.21 81.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -46.33 90.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.732 HD11 ' HB3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -55.1 -59.01 2.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.2 mtt180 -55.98 -31.04 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -67.68 -67.47 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.8 m -42.57 -40.76 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.373 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -66.92 -50.61 61.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -60.8 -41.04 94.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.03 -43.37 66.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG22 ' OG ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -71.17 -40.0 74.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.529 HD13 ' HA ' ' A' ' 32' ' ' THR . 4.4 mm -53.2 -55.89 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.6 88.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.97 -75.84 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -157.35 -72.49 0.02 OUTLIER Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.449 1.093 . . . . 0.0 111.06 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -40.89 164.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.529 ' HA ' HD13 ' A' ' 27' ' ' ILE . 1.6 m -134.19 -173.6 3.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' H ' HG22 ' A' ' 32' ' ' THR . 5.3 mm -138.86 127.68 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.8 p -112.92 -31.8 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.359 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -145.34 160.11 42.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.15 169.75 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -130.86 90.28 2.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -97.69 72.44 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.59 157.45 34.09 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 95.82 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.98 -13.2 22.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 3.5 ttt -127.81 119.83 26.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.732 ' HB3' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -119.69 86.71 2.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.49 -173.38 13.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CD2' ' HD2' ' A' ' 23' ' ' LYS . 3.7 p90 -168.84 163.64 11.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 0.777 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.635 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -133.06 146.79 52.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . 175.07 -145.16 7.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.19 140.01 35.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 0.767 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.848 HD12 ' HB2' ' A' ' 6' ' ' PHE . 12.3 mt -141.91 -169.37 2.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.542 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -161.2 -176.39 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.401 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.07 -31.04 6.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.568 1.826 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -55.5 11.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.528 ' OG ' HG22 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -54.65 -39.71 68.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.995 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.523 HD23 ' CZ ' ' A' ' 57' ' ' PHE . 2.2 mt -51.43 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -38.36 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -55.06 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 68' ' ' ILE . 9.9 p90 -91.93 5.5 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 54' ' ' LEU . 2.9 mm100 -90.79 122.02 33.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.082 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.81 -41.22 2.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.415 1.072 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.839 HD21 HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -77.45 -0.71 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -39.55 157.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.16 -19.71 33.49 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.449 ' HB3' HD12 ' A' ' 60' ' ' LEU . 1.8 t0 -117.86 -6.0 11.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.839 HD23 HD21 ' A' ' 60' ' ' LEU . 2.2 tp -157.53 -54.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.488 HG21 HD13 ' A' ' 68' ' ' ILE . 46.4 mm -89.76 117.1 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -85.1 -31.1 23.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -165.88 135.02 3.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.569 1.168 . . . . 0.0 109.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.615 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -114.7 142.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -136.58 65.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.603 ' HA ' ' CD2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -64.82 137.42 57.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -136.23 15.63 3.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 6' ' ' PHE . . . -76.71 -69.9 1.34 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.12 127.61 43.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.243 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.1 t -122.57 146.04 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.404 1.065 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.525 ' O ' HG22 ' A' ' 75' ' ' THR . 14.0 m -144.47 61.77 1.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.6 p -126.4 155.26 42.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 168.09 118.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 109.967 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' A' ' 50' ' ' THR . . . -142.64 70.9 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.1 -178.32 0.59 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.52 127.63 46.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 3' ' ' ALA . 12.0 m-30 -102.87 163.96 11.9 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.505 1.128 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.83 HG22 ' HB2' ' A' ' 46' ' ' ALA . 5.6 pt -140.76 94.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.943 ' C ' HD13 ' A' ' 9' ' ' ILE . 10.3 m -99.15 157.7 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.943 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -130.71 167.51 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 109.273 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.887 ' HB3' HG11 ' A' ' 14' ' ' VAL . 8.2 m-85 -129.64 140.48 51.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 10' ' ' PHE . 14.4 ptmt -50.61 -179.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -95.5 35.76 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.36 -43.32 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.887 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -40.17 152.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.4 ' O ' HG22 ' A' ' 14' ' ' VAL . 7.0 p -90.6 173.88 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -75.62 -44.04 44.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.313 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.53 -40.34 94.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 6.6 mtpt -60.37 -46.22 90.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.624 1.202 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -53.93 -59.0 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.593 ' N ' HG22 ' A' ' 19' ' ' ILE . 34.8 mtt180 -56.41 -31.39 63.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -66.69 -67.22 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.286 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 m -39.96 -37.41 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD2' ' CD2' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -67.0 -56.48 9.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.61 -39.51 88.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.57 -40.44 65.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -77.64 -47.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.437 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 1.9 mm -48.04 -40.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.96 -46.58 14.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.4 -70.54 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.55 -70.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.557 1.161 . . . . 0.0 111.066 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -42.8 166.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' HD13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -131.82 -179.67 5.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 45' ' ' PHE . 25.4 mm -130.06 133.13 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.667 HG22 ' HA2' ' A' ' 47' ' ' GLY . 15.0 t -114.47 -26.34 7.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.364 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.563 ' ND2' HG23 ' A' ' 34' ' ' THR . 74.3 m-20 -159.54 163.81 34.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.533 1.145 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -135.49 167.15 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.44 90.52 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -97.19 54.85 1.25 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.409 ' HB2' ' CB ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -88.47 165.29 28.93 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.69 20.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.456 1.766 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -130.6 3.5 5.77 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.548 1.155 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.409 ' CB ' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -135.56 92.07 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.937 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -100.69 70.16 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.749 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -137.85 -169.06 11.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.571 1.169 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.699 ' CE2' ' CG2' ' A' ' 8' ' ' VAL . 9.7 p90 -153.91 165.35 36.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 0.776 . . . . 0.0 110.97 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.83 ' HB2' HG22 ' A' ' 7' ' ' ILE . . . -132.48 160.56 36.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.667 ' HA2' HG22 ' A' ' 34' ' ' THR . . . 158.15 -154.64 25.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.164 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.43 136.97 38.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 110.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 6' ' ' PHE . 0.3 OUTLIER -141.23 -168.1 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.746 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -158.41 -175.2 0.49 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.99 -24.67 12.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.581 1.832 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -61.47 1.76 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.491 ' CB ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -53.57 -36.28 61.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.735 HD23 ' CE1' ' A' ' 57' ' ' PHE . 1.0 OUTLIER -53.76 -73.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.4 m -37.28 -30.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.359 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -55.88 -71.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.854 ' CE1' HD11 ' A' ' 68' ' ' ILE . 23.8 p90 -92.78 14.28 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -90.3 -46.65 8.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.332 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -73.92 -29.95 62.17 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.45 1.094 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 tp -90.22 -21.12 22.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 0.3 OUTLIER -38.69 158.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.427 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 99.69 -23.27 36.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.47 1.106 . . . . 0.0 110.936 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.92 -28.18 9.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 0.78 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.707 HD22 HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -134.05 1.04 3.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.707 HG12 HD22 ' A' ' 64' ' ' LEU . 1.3 mm -131.67 112.04 19.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -80.62 -43.48 20.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB2' ' CG1' ' A' ' 9' ' ' ILE . 2.8 m -137.77 149.72 46.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.854 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.9 OUTLIER -141.0 109.33 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.12 99.45 6.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.681 ' HG2' HD11 ' A' ' 54' ' ' LEU . 4.4 mp0 -104.89 120.32 41.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -112.81 66.11 0.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.27 -60.42 0.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 24.6 mt -86.19 84.88 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' THR . 80.8 t -102.43 -64.47 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' VAL . 0.5 OUTLIER -38.39 106.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.9 m -97.03 81.57 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 m -98.3 171.21 8.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 0.748 . . . . 0.0 110.052 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.06 -7.48 56.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.229 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.29 -164.57 28.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -98.88 140.91 32.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.622 ' CG ' ' HB2' ' A' ' 49' ' ' LEU . 6.9 m-85 -132.57 153.9 50.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.062 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.958 HG22 ' CB ' ' A' ' 46' ' ' ALA . 11.8 pt -140.38 103.73 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.912 ' C ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -120.47 164.04 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.912 HD13 ' C ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -132.79 173.32 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.94 ' HB3' HG11 ' A' ' 14' ' ' VAL . 3.8 m-85 -122.0 156.78 32.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 15.8 ptmt -50.71 179.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -98.56 37.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 13.6 t0 -131.57 -44.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.346 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.94 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -38.77 150.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.0 p -91.74 177.61 6.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.067 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -79.78 -40.3 29.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.98 -61.17 2.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -51.3 -45.42 62.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.599 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -52.4 -58.99 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.379 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -55.99 -32.73 64.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 1.7 mt-10 -66.06 -66.33 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.391 1.057 . . . . 0.0 110.347 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -43.63 -37.14 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -65.72 -51.01 62.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.349 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.48 -40.88 98.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 5.5 mt-10 -54.07 -41.12 67.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -76.18 -39.88 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.519 HD11 ' CG1' ' A' ' 33' ' ' ILE . 1.9 mm -49.73 -55.54 4.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 29' ' ' GLU . . . -72.76 -57.97 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 25' ' ' GLU . 0.2 OUTLIER -37.83 -72.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.322 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 31' ' ' GLY . . . -154.96 -73.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 30' ' ' GLY . . . -44.23 170.62 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.403 HG22 ' H ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -139.99 -175.79 4.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' CG1' HD11 ' A' ' 27' ' ' ILE . 4.8 mm -137.93 125.21 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.0 p -115.4 -32.08 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -152.9 108.51 3.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.248 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -91.09 165.61 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 25.4 m-85 -118.62 81.08 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -83.39 80.25 9.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.78 160.84 54.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.61 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.41 4.75 73.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.153 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 95.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.994 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.406 ' HB2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -107.13 82.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.869 ' HA3' HG23 ' A' ' 9' ' ' ILE . . . -140.18 -170.69 12.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 45' ' ' PHE . 4.4 p90 -148.21 160.77 42.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 0.787 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.958 ' CB ' HG22 ' A' ' 7' ' ' ILE . . . -138.38 122.97 18.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -165.03 -133.18 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -116.25 141.05 48.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HB2' ' CG ' ' A' ' 6' ' ' PHE . 1.1 mt -141.72 -167.77 2.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.13 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.754 ' O ' HD13 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -154.35 -174.19 0.41 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 110.438 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.714 ' CD ' HG22 ' A' ' 50' ' ' THR . 18.2 Cg_endo -75.04 -34.29 3.9 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.001 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.45 -58.49 6.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.8 OUTLIER -54.71 -35.3 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.754 HD13 ' O ' ' A' ' 50' ' ' THR . 1.8 mp -51.86 -76.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.228 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 58' ' ' GLN . 86.0 m -38.14 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.428 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -54.45 -72.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.667 ' HB2' HD11 ' A' ' 65' ' ' ILE . 1.7 p90 -88.34 -2.33 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 54' ' ' LEU . 8.7 mm-40 -81.32 120.3 24.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.91 -28.6 9.71 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -75.35 -8.66 57.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' HG2' HG22 ' A' ' 65' ' ' ILE . 7.2 mt-30 -39.98 147.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.247 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.65 -23.32 16.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.102 . . . . 0.0 111.057 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.47 -4.36 10.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.415 0.715 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 65' ' ' ILE . 1.2 tp -159.94 -65.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 57' ' ' PHE . 3.1 mt -79.6 126.96 39.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' CG ' ' HA ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -92.37 -40.2 11.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.9 m -152.47 135.46 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.63 HD11 ' CE1' ' A' ' 57' ' ' PHE . 0.4 OUTLIER -122.0 125.17 72.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.61 72.62 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 6' ' ' PHE . 1.9 pp20? -69.03 131.54 45.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -131.84 27.96 4.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.527 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -94.84 148.9 19.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.8 mt -141.71 142.22 28.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -115.24 -80.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 55.3 m -48.38 138.8 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.402 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -96.61 -54.11 3.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -70.89 -141.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.481 ' O ' ' CA ' ' A' ' 72' ' ' GLY . . . -92.66 24.8 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.79 -172.4 14.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.564 1.165 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 40.6 mttt -104.25 145.44 30.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 0.751 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.582 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 5.3 m-85 -129.15 164.38 23.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.553 HG23 ' HB2' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -139.61 101.44 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG22 ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -111.06 155.76 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -132.0 170.23 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.707 ' HB3' HG11 ' A' ' 14' ' ' VAL . 5.1 m-85 -130.19 141.29 50.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' CB ' ' A' ' 13' ' ' ASP . 16.2 ptmt -52.21 174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -92.0 36.64 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' CB ' ' HE2' ' A' ' 11' ' ' LYS . 10.8 t70 -124.79 -43.09 2.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.707 HG11 ' HB3' ' A' ' 10' ' ' PHE . 0.6 OUTLIER -39.83 153.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.349 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -90.82 163.31 14.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -65.26 -46.33 80.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.85 -40.81 94.28 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -60.79 -45.97 92.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.597 HG22 ' N ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -54.38 -58.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.597 ' N ' HG22 ' A' ' 19' ' ' ILE . 7.6 mtt180 -56.38 -30.82 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.03 -67.67 0.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.6 m -41.19 -35.28 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -67.86 -54.97 14.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -50.41 -42.7 54.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.235 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -70.57 -40.32 77.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 mm -55.03 -55.31 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.96 79.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.328 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.34 -72.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 26' ' ' VAL . . . -164.35 -70.0 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -41.66 164.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.93 174.26 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 0.786 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.1 mt -131.58 128.76 61.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.504 HG23 ' ND2' ' A' ' 35' ' ' ASN . 14.3 t -113.56 -31.39 6.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 110.397 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' ND2' HG23 ' A' ' 34' ' ' THR . 30.5 m-20 -146.67 111.21 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.62 166.86 11.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -120.67 86.6 2.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.502 1.126 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -93.07 75.81 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.87 170.77 5.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -62.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.515 1.798 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.28 -1.79 88.56 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.483 ' HE1' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -131.94 133.62 44.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.584 0.814 . . . . 0.0 110.991 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HB3' HD11 ' A' ' 19' ' ' ILE . 20.0 mtpt -142.69 88.63 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 9' ' ' ILE . . . -155.24 -168.65 18.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.783 ' CE1' HG22 ' A' ' 8' ' ' VAL . 32.3 p90 -159.91 159.59 32.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.476 0.751 . . . . 0.0 111.026 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HB2' HG23 ' A' ' 7' ' ' ILE . . . -130.56 136.05 48.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 5' ' ' LYS . . . -174.24 -154.04 10.48 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 110.971 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.584 ' O ' HD12 ' A' ' 49' ' ' LEU . 10.0 mm-40 -100.87 121.45 41.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.591 HD23 ' HZ ' ' A' ' 57' ' ' PHE . 6.6 mp -122.47 -169.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 51' ' ' PRO . 0.1 OUTLIER -154.8 -176.02 0.56 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.356 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 50' ' ' THR . 18.4 Cg_endo -74.91 -27.93 9.78 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.54 -61.1 1.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.444 1.09 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.443 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -50.34 -39.96 47.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.822 HD11 ' HG2' ' A' ' 70' ' ' GLU . 1.8 mt -51.8 -71.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 ' CA ' ' HB2' ' A' ' 58' ' ' GLN . 79.6 m -36.93 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -58.22 -71.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.697 ' CE1' HD23 ' A' ' 54' ' ' LEU . 20.0 p90 -93.08 17.26 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.607 ' NE2' HD13 ' A' ' 54' ' ' LEU . 2.8 mt-30 -90.2 -45.64 8.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.26 -35.48 29.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 tp -80.72 -20.0 43.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 62' ' ' GLY . 5.0 tt0 -39.08 147.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 61' ' ' GLN . . . 106.99 -21.85 30.86 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -108.67 -27.81 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 109.254 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.631 HD22 HG12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -136.07 5.43 3.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.241 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.631 HG12 HD22 ' A' ' 64' ' ' LEU . 1.2 mm -135.3 118.29 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' HB3' HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -81.47 -47.04 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -144.69 154.84 43.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.602 HD12 HG21 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -134.96 116.01 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.579 1.175 . . . . 0.0 109.29 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -113.28 73.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.822 ' HG2' HD11 ' A' ' 54' ' ' LEU . 2.6 mt-10 -67.26 132.26 47.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.564 1.165 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.11 28.62 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.544 ' HA3' ' CZ ' ' A' ' 6' ' ' PHE . . . -76.46 142.12 27.63 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -147.05 156.51 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 74' ' ' VAL . 87.6 t -116.02 70.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.95 142.11 0.37 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 m -54.46 142.42 27.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.427 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.92 . . . . . . . . 1 1 . 1 stop_ save_